Databook of solvents [2nd edition] 9781927885451, 9781927885468, 1927885450

Table of contents :
Front Cover......Page 1
Databook of Solvents......Page 2
Copyright Page......Page 3
Table of Contents......Page 4
Chapter 1.Introduction......Page 12
Chapter2. Information on data fields......Page 14
3.1 Acids. Acetic acid......Page 28
3.2 Alcohols......Page 61
3.3 Aldehydes......Page 161
3.4 Aliphatic hydrocarbons......Page 192
3.5 Amides......Page 254
3.6 Amines......Page 265
3.7 Aromatic hydrocarbons......Page 321
3.8 Chlorofluorocarbons......Page 362
3.9 Esters......Page 380
3.10 Ethers......Page 486
3.11 Glycol ethers......Page 505
3.12 Halogenated......Page 551
3.13 Heterocyclic......Page 606
3.14 Hydrochlorofluorocarbons......Page 649
3.15 Ketones......Page 653
3.16 Nitriles......Page 714
3.17 Perfluorocarbon......Page 739
3.18 Polyhydric alcohols......Page 747
3.19 Sulfoxides......Page 773
3.20 Supercritical fluids......Page 779
3.21 Terpenes......Page 782
3.22 Thiol derivatives......Page 797

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 



Published by ChemTec Publishing 38 Earswick Drive, Toronto, Ontario M1E 1C6, Canada © ChemTec Publishing, 2014, 2019 ISBN 978-1-927885-45-1 (hard copy); 978-1-927885-46-8 (epub) Cover design: Anita Wypych

All rights reserved. No part of this publication may be reproduced, stored or transmitted in any form or by any means without written permission of copyright owner. No responsibility is assumed by the Author and the Publisher for any injury or/and damage to persons or properties as a matter of products liability, negligence, use, or operation of any methods, product ideas, or instructions published or suggested in this book.

Library and Archives of Canada Cataloguing in Publication Wypych, Anna, 1937-, author Databook of solvents / Anna & George Wypych. -- 2nd edition. Includes bibliographical references and index. Issued in print and electronic formats. ISBN 978-1-927885-45-1 (hardcover).--ISBN 978-1-927885-46-8 (PDF) 1. Solvents--Handbooks, manuals, etc. I. Wypych, George, author II. Title. III. Title: Solvents. TP247.5.W96 2019

661’.807

C2018-904005-X C2018-904006-8

Table of Contents 1 Introduction

1

2 Information on data fields

3

3 Solvents

17

3.1 Acids

17

Acetic acid

21

Acrylic acid

24

Caproic acid

27

Ethylhexanoic acid, 2-

30

Formic acid

32

Isobutyric acid

36

Lactic acid

39

Methanesulfonic acid

42

Oleic acid

44

Propionic acid

47

3.2 Alcohols

50

Aminoethoxyethanol, 2-

50

Aminomethylpropanol

53

Amyl alcohol, tert-

56

Butanol, 1-

59

Butanol, 2-

63

Butanol, tert-

67

Butoxy-2-propanol, 1-

70

Cresol, m-

72

Cresol, p-

75

Cyclohexanol

78

Cyclooctanol

81

Dodecanol, 1-

83

Ethanol (anhydrous)

86

Ethylhexanol, 2-

89

Ethylphenol, 3-

93

Furfuryl alcohol

95

Hexanol, 1-

99

Isobutyl alcohol

102

Isopropyl alcohol

105

Methanol

109

Methylisobutylcarbinol

113

Octanol, 1-

117

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

Oleyl alcohol

120

Pentanol, 1-

122

Phenylethanol, 2-

125

Propanol, 1-

127

Propanol, 2-

131

Propargyl alcohol

134

Tetrahydrofurfuryl alcohol

137

Undecanol, 1-

140

Xylenol, 2.4

142

Xylenol, 2.6

145

Xylenol, 3.4

147

3.3 Aldehydes

150

Benzaldehyde

150

Butyraldehyde

153

Cinnamaldehyde

156

Crotonaldehyde

158

Ethylhexaldehyde

161

Formaldehyde

164

Furfural

167

Glutaraldehyde

170

Glyoxal

173

Isobutyraldehyde

175

Propionaldehyde

178

3.4 Aliphatic hydrocarbons

181

Butane

181

Cyclohexane

183

Cyclopentane

186

Decane, n-

189

Dodecane, n-

192

Ethyl cyclohexane

194

Heptane, n-

197

Hexane, n-

201

Hexene, n-

204

Isobutane

207

Isobutene

209

Isopentane

212

Methylcyclohexane

215

Methylcyclopentane

218

Nonane, n-

221

Octane, n-

224

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

Pentane, n-

227

Propane

231

Trimethyl pentane, 2,2,4-

234

Undecane, n-

237

Vinylcyclohexene, 4-

240

3.5 Amides

243

Acetamide

243

Dimethylacetamide, N,N-

245

Dimethylformamide, N,N-

248

Formamide

251

3.6 Amines

254

Ammonia

254

Ammonia (solution)

257

Aniline

260

Butylamine, n-

263

Cyclohexylamine

266

Dibutyl amine

269

Diethanolamine

272

Diethylamine

275

Diethylenetriamine

278

Dimethylamine

281

Ethanolamine

284

Ethylamine

288

Ethylenediaminetetraacetic acid

292

Isophorone diamine

294

Isopropanol amine

296

Methylformamide, N-

299

Tributylamine

302

Triethanolamine

305

Triisopropanolamine

308

3.7 Aromatic hydrocarbons

310

Benzene

310

Cumene

314

Ethylbenzene

317

Isodurene

321

Mesitylene

323

Propylbenzene

326

Styrene

328

Tetralin

332

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

Toluene

335

Xylene, m-

339

Xylene, o-

343

Xylene, p-

347

3.8 Chlorofluorocarbons

351

Chloropentafluoroethane

351

Chlorodifluoromethane

353

Dichlorodifluoromethane

356

Dichlorofluoromethane

359

Trichlorofluoromethane

362

Trichlorotrifluoroethane, 1,1,2-

365

3.9 Esters

369

Acetic acid, isopropyl ester

369

Acetyl tri-n-butyl citrate

373

Amyl acetate, n-

375

Benzyl acetate

378

Benzyl benzoate

381

Butyl acetate

384

Butyl propionate, n-

387

Diethyl oxalate

390

Diethylene glycol monobutyl ether acetate

393

Diethylene glycol monoethyl ether acetate

396

Dimethyl carbonate

399

Dimethyl glutarate

402

Ethoxyethyl acetate, 2-

404

Ethyl acetate

407

Ethyl acetoacetate

410

Ethyl formate

413

Ethyl propionate

416

Ethylene carbonate

419

Ethylhexyl acetate, 2-

421

Hexyl acetate, n-

423

Isoamyl acetate

426

Isobutyl acetate

429

Isobutyl isobutyrate

433

Lactic acid, butyl ester

436

Lactic acid, methyl ester

439

Methoxybutyl acetate, 3-

442

Methyl acetate

444

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

Methyl acetoacetate

448

Methyl benzoate

451

Methyl formate

454

Methyl propionate

457

Propyl acetate

460

Propyl propionate

464

Propylene carbonate

466

Propylene glycol monomethyl ether acetate

469

Triethyl phosphate

472

3.10 Ethers

475

Dibutyl ether

475

Diethyl ether

478

Diisopropyl ether

482

Dimethoxymethane

486

Methyl tert-butyl ether

489

tert-Amyl methyl ether

492

3.11 Glycol ethers

494

Diethylene glycol dibutyl ether

494

Diethylene glycol dimethyl ether

496

Diethylene glycol monobutyl ether

499

Diethylene glycol monoethyl ether

502

Diethylene glycol monomethyl ether

505

Diethylene glycol n-hexyl ether

508

Diethylene glycol monophenyl ether

510

Ethylene glycol dibutyl ether

512

Ethylene glycol diethyl ether

515

Ethylene glycol hexyl ether

518

Ethylene glycol monobenzyl ether

520

Ethylene glycol monophenyl ether

522

Ethylene glycol monopropyl ether

525

Propylene glycol monobutyl ether

527

Propylene glycol monoethyl ether

529

Propylene glycol monoisobutyl ether

531

Tetraethylene glycol dimethyl ether

532

Triethylene glycol butyl ether

533

Triethylene glycol monoethyl ether

535

Triethylene glycol monomethyl ether

537

Tripropylene glycol monomethyl ether

539

3.12 Halogenated Carbon tetrachloride Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

540 540

Chlorobenzene

544

Chloroethane

547

Chloroform

549

Chloromethane

552

Chloropropane, 2-

555

Dibromomethane

557

Dichlorobenzene, 1,2-

559

Dichloromethane

562

Difluorobenzene, 1,2-

565

Difluorobenzene, 1,3-

567

Diflurobenzene, 1,4-

569

Hexafluorobenzene

571

Propyl bromide, n-

574

Tetrachloroethylene, 1,1,2,2-

577

Trichloroethane, 1,1,1-

580

Trichloroethane, 1,1,2-

583

Trichloroethylene, 1,1,2-

586

Trifluoromethane

589

Trifluorotoluene, alpha, alpha, alpha

592

3.13 Heterocyclic

595

Butyrolactone, gamma

595

Dioxane, 1,4-

598

Dioxolane, 1,3-

601

Ethyl-2-pyrrolidone, N-

604

Furan

606

Methylpyrrolidone, N-

609

Morpholine

612

Octyl-2-pyrrolidone, 1-

615

Picoline, 3-

617

Piperazine

620

Piperidine

622

Pyridine

625

Pyrrolidinone, 2-

629

Tetrahydrofuran

631

Vinylpyrrolidone, N-

635

3.14 Hydrochlorofluorocarbons

638

Chlorodifluoroethane, 1,1,1-

638

Tetrafluoroethane, 1,1,1,2-

640

3.15 Ketones Acetone Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

642 642

Cyclohexanone

646

Cyclopentanone

649

Diacetone alcohol

652

Diisobutyl ketone

655

Dipropyl ketone

658

Ethyl butyl ketone

660

Isobutyl heptyl ketone

663

Isophorone

665

Methyl amyl ketone

668

Methyl ethyl ketone

672

Methyl hexyl ketone

676

Methyl isoamyl ketone

679

Methyl isobutyl ketone

682

Methyl isopropyl ketone

686

Methyl n-butyl ketone

690

Methyl propyl ketone

694

Methyl tert-butyl ketone

698

Pentanone, 3-

700

3.16 Nitriles

703

Acetonitrile

703

Benzonitrile

707

Cyanoethane

710

Nitrobenzene

713

Nitroethane

716

Nitromethane

719

Nitropropane, 1-

722

Nitropropane, 2-

725

3.17 Perfluorocarbons

728

Perfluorodecalin

728

Perfluoroheptane

730

Perfluorohexane

732

Perfluoropentane

734

3.18 Polyhydric alcohols

736

Diethylene glycol

736

Dipropylene glycol

739

Ethylene glycol

741

Glycerol

744

Hexanediol, 2-ethyl, 1,3-

746

Hexylene glycol

748

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

Propylene glycol

751

Tetraethylene glycol

754

Triethylene glycol

757

Tripropylene glycol

760

3.19 Sulfoxides

762

Dimethyl sulfoxide

762

Sulfolane

765

3.20 Supercritical fluid Carbon dioxide

3.21 Terpenes

768 768 771

Dipentene

771

Limonene, d-

773

Linalool

776

Pinene, alpha-

778

Pinene, beta-

781

Terpineol, alpha-

783

3.22 Thiol derivatives

786

Butyl mercaptan, n-

786

Carbon disulfide

789

Dimethyl sulfide

792

Tetramethylene sulfide

794

Thiodiglycol

797

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

1 Introduction The second edi on of this book was redesigned to include all high produc on volume solvents. The high produc on volume solvents are produced or imported at levels greater than 1,000 tones per year in at least one member country. The most recent list of these chemicals has been compiled based on submissions from eight member countries (including the USA) in addi on to the European Union’s HPV list according to EC Regula on 793/93. It has been used by member countries to choose chemicals on which to make a hazard assessment for human health and the environment. The most frequently used solvents include water, ethanol, n-butanol, isopropanol, methanol, acetone, methyl ethyl ketone, and toluene. The safest solvents in use, as measured by their short-term exposure limit (STEL), are, in addi on to water, acetone, cyclohexane, ethanol, ethyl acetate, heptane, isopropanol, methanol, methyl ethyl ketone, methylene chloride, propanol, and tetrahydrofuran. The most frequently used solvents are thus the least toxic ones. This is important considering that it is expected that the total amount of solvents to be used in 2020 in the USA alone will be 4.3 million tons. S ll, an unknown but considered a large frac on of these massive amounts of solvents ends up pollu ng the air, water, and soil. We were trying to select the most extensive and up-to-date informa on on these solvents (some mes sugges ng safer replacements if they were readily available) in hope that the data will help in a more ra onal, effec ve, and safe use of these solvents. The informa on below can be effec vely used as a checkpoint list for solvent selec on and evalua on. The use of solvents is driven by resultant changes to the original proper es of materials which contain these solvents. A list below shows the most important expecta ons of solvent influence on the development of desired proper es: • effect on chemical reac vity  lower viscosity makes molecules to move and thus interact and chemically react. At the same me, the addi on of solvent dilutes reac ng components, making a solvent influence on reac vity a composite influence of both dilu on and mobility • influence on reac on equilibrium, the selec vity of chemical reac ons, and reac on yield • transporta on of heat (especially important in endo- and exothermic reac ons) • influence on the dispersion of liquid and solid addi ves (liquid addi ves especially benefit if they are easily soluble in a solvent; predispersion of fillers, pigments, and solubiliza on of other liquid addi ves improves their incorpora on) • improvement of op cal clarity by homogenizing system components • increased compa bility of addi ves with polymer and polymers in their blends • modifica on of interac on with water by products containing solvents. Hydrophobic solvents reduce water sensi vity of some products and hydrophilic solvents increase water absorp on, which may increase curing rate in water-reac ve systems, decrease skin me, decrease or increase tackiness, cause swelling, etc. • the decrease in the glass transi on temperature of the polymer  the most typical reason for solvent use. This expecta on is frequently related to and explained by the mechanism of solvent ac on • morphology control  engineered morphological structure (membranes, nanostructures). Three major morphological features are under inves ga on: star-like, crew-cut, Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

1

• •

• •

•

•

• •

and polymer brushes viscosity control  solvents are low viscosity liquids, which reduce the viscosity of polymer solu ons and improve the workability of complex industrial formula ons. modifica on of the rheological proper es  most products, especially products having high polymer content are non-Newtonian liquids. Their apparent viscosity is a func on of shear rate. This, in turn, causes a complex rheological behavior effect on processability  many processing methods cannot be used for solid materials. Possibility of forma on of liquid solu ons gives numerous op ons in processability fire behavior  most solvents generally increase suscep bility of material to burn, drip during burning, and produce smoke but some solvents (chlorofluorocarbons, halogenated, hydrochlorofluorocarbons, perfluorocarbons, and some supercri cal fluids) reduce burneability of materials and smoke produc on resistance to biological degrada on  most solvents increase poten al of biological attack and some products containing solvents must be protected by suitable biocides. In the biodegradable materials, the selected solvents are deliberately added to increase biodegrada on rate the effect on crystalliza on is generally towards the reduc on of crystallinity but in many cases crystallizing ability can be substan ally increased by the increased mobility of the crystallizing polymer chains or their segments. Solvents also affect gela on rate of polymeric formula ons improvement of photorefrac ve proper es of some composi ons numerous other influences, including plas cizing effect, surface smoothness, and gloss, etc.

Many of these and other proper es of solvents are included in the data tables which characterize individual solvents. Solvents are commonly classified based on their chemical composi on because it is easier to understand the influence of structural elements (e.g., different alcohols in a homologous series of esters, the composi on of haloalkanes, etc.) on proper es of solvents and their effect on materials (especially environmental impact) which contain them. For this reason, we also group solvents by chemical family (or category) such as esters, ketones, terpenes, thiol deriva ves, etc. It is important to consider that classifica on should help in finding of an objec ve truth rather than to be used for crude simplifica ons. For example, grouping haloalkanes by the contents of their elements helps in understanding their environmental effect and proper categoriza on of informa on and literature on the subject. On the other hand, calls for the elimina on of an en re group of solvents without understanding benefits or disadvantages given by the proper es of individual members of the group is a crude simplifica on which should have no place in science.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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2 Information on data fields The fields used in the databook are listed in alphabetical order. The information on data in a particular field includes glossary of term, unit of measurement, typical methods used to measure quantities available in the databook. A Acceptor number, AN, is a quantitative measure or Lewis acidity as devised by Gutmann. A A specific type of equilibrium constant that indicates the extent of dissociation of hydrogen ions from an acid. While strong acids dissociate practically completely in solution and consequently have large acidity constants, weak acids do not fully dissociate and generally have acidity constants far less than 1. A Twenty-five grams of a solvent is placed in 125 ml Erlenmeyer flask and 50 ml alcohol is added to dissolve the sample. If the sample is not completely soluble, 50 ml of equal amounts of alcohol and acetone are used. This sample is titrated with 0.01N NaOH or KOH in the presence of bromothymol blue used as an indicator. ISO standard uses a method of titration similar to just described ASTM standard but phenolphthalein is used as an indicator and 0.1 N NaOH is used as a titrating agent. The results are expressed in mg KOH per 1 g of sample. A Abbreviations of solvent names can be found in the standard terminology (ASTM D160014 Standard Terminology for Abbreviated Terms Relating to Plastics). ISO standard has a separate section for symbols used for additives (ISO 1043-3:1996 Plastics -- Symbols and abbreviated terms -- Part 3: Additives). In addition to the abbreviations for individual additives, Annex A contains a list of symbols for solvent components (alcohol part, acid part, and other elements of composition). Abbreviations of solvents used in rubber are given in a separate standard (ISO 6472:2010 Rubber compounding ingredients -- Abbreviations). A Method of solvent application (e.g., spraying, dipping, etc.). ADR/RID A number corresponding to one of the eight classes of cargo defined in the European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR) or the International Regulations concerning the Transport of Dangerous goods by Rail (RID). A , Acute toxicity describes the adverse effects resulting from a single exposure to a substance. Typical methods of measurement include LD50 which is the amount of a solid or liquid material that is required to kill 50% of test animals in one dose.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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A The minimum temperature for complete miscibility of equal volumes of aniline and the sample under test. Products containing aromatics or naphthenes have lower aniline points than products containing paraffins. A A constant of Antoine equation: log10(P) = A − [B / (T + C)], where P is vapor pressure in bars, T is temperature in Kelvin, and A, B, C are constants. The Antoine equation is a simple 3-parameter fit to experimental vapor pressures measured over a restricted temperature range. Sublimation and vaporization of the same substance have separate sets of Antoine coefficients, as do components in mixtures. The Antoine equation is accurate to a few percent for most volatile substances (with vapor pressures over 10 Torr). A The range of temperatures in which given set of constants gives correct values. A The adverse effects to marine life (aquatic organisms) that result from exposure to a toxic substance. Aquatic toxicity can be expressed as the lethal concentration of a chemical substance in miligrams per liter that caused death to 50% population of aquatic species (LC50) during a time of experiment (usually 24, 48 or 96 hours). A The time required for the concentration of a pollutant or reactant to fall to one-half of its initial value. A The lowest temperature at which a material will ignite and sustain combustion in the absence of a spark or flame. The properties of liquid can be tested by standardized methods (ASTM E659-14 Standard Test Method for Autoignition Temperature of Liquid Chemicals). The ignition temperature is the temperature in degrees Centigrade at which the substance shows spontaneous combustion when touching hot bodies. B It is the ratio of a substance’s concentration in tissue of an aquatic organism to its concentration in the ambient water, in situations where the organism is exposed through the water only and the ratio does not change substantially over time B The probability that an organic substance will biodegrade under aerobic conditions. This field includes the general statements regarding biodegradation probability of solvents. Experimental data are included in the following fields: Biological Oxygen Demand, Chemical Oxygen Demand, and Theoretical Oxygen Demand. B O D The biological oxygen demand, BOD, is the mass concentration of dissolved oxygen consumed under specific conditions in a given time (e.g., BOD-5 stands for 5 days test) by the aerobic biological oxidation of a chemical or organic matter in water. BOD is an empirical test, which evaluates the ultimate aerobic biodegradability of organic compounds in water. Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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The following ISO standards can be applied: ISO 10708:1997 Water quality -- Evaluation in an aqueous medium of the ultimate aerobic biodegradability of organic compounds -- Determination of biochemical oxygen demand in a two-phase closed bottle test and ISO 58151:2003 Water quality -- Determination of biochemical oxygen demand after n days, BODn. B The boiling point is the temperature in degrees Centigrade at which the substance undergoes transition from the liquid into the gaseous phase under normal pressure.

B In order to assess bioaccumulation of substance, a test organism such as Bluegill sunfish, Daphnia magna, Fathead minnow, Rainbow trout, or other is selected. The test substance is administered as a suspension directly into the water. A test organism is observed by a specified number of hours. If deleterious effects, due either to toxicity or pathogenicity are observed, sequentially lower doses should be tested. The experiment should establish LC50 value for a particular substance and a test organism (LC50 is a dose required to kill 50 percent of the test organisms). C A carcinogenic material is one that is known to cause cancer. The process of forming cancer cells from normal cells or carcinomas is called carcinogenesis. A summary of findings included in this field is based on general principles of material assessment, which includes: a  There is limited evidence of carcinogenicity from studies in humans. A cause and effect interpretation is credible, but that alternative explanations such as chance, bias, other variables etc. cannot be ruled out. Again, science can never prove a hypothesis, only disprove one. Scientific “facts” are established only when a preponderance of the evidence supports a hypothesis and there is 1) no evidence to disprove it and 2) no equally viable alternative hypotheses. b  There is sufficient evidence of carcinogenicity from studies in experimental animals, which indicates there is an increased incidence of malignant and/or a combination of malignant and benign tumors (1) in multiple species or at multiple tissue sites, or (2) by multiple routes of exposure, or (3) to an unusual degree with regard to incidence, site, or type of tumor, or age at onset. c  There is less than sufficient evidence of carcinogenicity in humans or laboratory animals; however, the substance is structurally related to other materials that are either human carcinogens or reasonably anticipated to be human carcinogens. d  There is convincing relevant information that the material acts through mechanisms that are likely to cause cancer in humans. Carcinogenicity lists are maintained by NTP, IARC, and OSHA. CAS A number assigned by the Chemical Abstracts Service that uniquely identifies a chemical substance. C Non-systematic classification of solvents based on their main component. C Amount of oxygen required for the chemical oxidation or decomposition of compounds in water.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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C A chronic health effect is an adverse health effect resulting from long-term exposure to a substance. The effects could be a skin rash, bronchitis, cancer or any other medical condition. The term is also applied to a persistent (months, years or permanent) adverse health effect resulting from a short-term (acute) exposure. C The ratio of the weight of an object being moved along a surface and the force that maintains contact between the object and the surface. C The coefficient of thermal expansion is a fractional increase in volume per unit rise in temperature. C () Concentration of pure sovent used for a particular purpose. C This field gives a description of color that is typical of commercial product or pure specimen. C Many solvents have commercial names (see under label – Name). This frequently does not permit to recognize chemical composition of the solvent. Common name helps in recognition of chemical nature of material. C Common synonym has similar application as the Common name. It is used to help in identification of chemical nature of the product. C Aqueous material that has a pH less than or equal to 2 or greater than or equal to 12.5, meets the definition of “characteristic of corrosivity” as defined in 40 CFR 261.22. A material with a pH below 2 is strongly acidic, while a material with a pH above 12.5 is strongly basic. Liquid material that corrodes steel at a rate greater than 6.35 mm (0.250 inch) per year is also defined as corrosive.

D In order to assess bioaccumulation of substance, a test organism such as Bluegill sunfish, Daphnia magna, Fathead minnow, Rainbow trout, or other is selected. The test substance is administered as a suspension directly into the water. A test organism is observed by a specified number of hours. If deleterious effects, due either to toxicity or pathogenicity are observed, sequentially lower doses should be tested. The experiment should establish LC50 value for a particular substance and a test organism (LC50 is a dose required to kill 50 percent of the test organisms).

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D Davies scale or the hydrophile-lipophile balance, HLB, is an empirical, parameter. HLB number = (hydrophilic groups) + (lipophilic groups) + 7. The HLB was originally developed as a scale to classify the relative effectiveness of nonionic surfactants at forming stable emulsions at room temperature. Surfactants with HLB values between 0 and 4 are water/oil emulsifiers, surfactants with HLB values between 6 and 10 are wetting agents, and surfactants with HLB values between 12 and 18+ are oil/water emulsifiers. D Donor number, DN, is a qualitative measure of Lewis basicity. A donor number is defined as the negative enthalpy value for the 1:1 adduct formation between a Lewis base and the standard Lewis acid SbCl5 (antimony pentachloride), in dilute solution in the noncoordinating solvent 1,2-dichloroethane with a zero DN. The units are kilocalories per mole for historical reasons. The donor number is a measure of the ability of a solvent to solvate cations and Lewis acids. The method was developed by Gutman. DOT Transportation instructions require DOT Hazard Class in which materials are divided into the following classes: 1 – Explosives, 2 – Gases, 3 – Flammable and combustible liquids, 4 – Flammable spontaneously combustible solids, 5 – Oxidizers & organic peroxides, 6 – Poisonous & infectious materials, 7 – Radioactive materials, 8 – Corrosives, 9 – Miscellaneous. In addition UN number and packaging group is also given. EC Number assigned by the EU commission to a substance (previously EINECS and ELINCS) which to identify a compound. E A measure of the ability of a material to conduct an electric current between electrodes placed in it. It is usually expressed in microsiemens or picosiemens per centimeter. E The empirical formula is the molecular formula of a chemical compound. The order of atoms follows the Hill system which is utilized by the Chemical Abstracts Services and by the Beilstein Institute. Within the empirical formula C is the first element symbol, H is the second, the other element symbols are added in alphabetical order. The empirical formula does not take into account of any crystal water content. Using this field for searches requires that the above guidelines are strictly followed. E Enthalpy is a thermodynamic function of a system, equivalent to the sum of the internal energy of the system plus the product of its volume multiplied by the pressure exerted on it by its surroundings. Conversion into vapor, requires the absorption of the enthalpy of vaporization. E Internal energy of the system changes with temperature therefore the value of enthalpy of evaporation also depends on temperature.

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E An evaporation rate is the rate at which a material will vaporize (evaporate, change from liquid to vapor) compared to the rate of vaporization of a specific known material (butyl acetate and ether typical reference liquids). This quantity is a ratio, therefore it is unitless. E , , LEL The explosion limits are the lower and the upper border concentration in volume percent of a flammable gas or vapor mixed with air between which the mixture can be made to explode by heating or by a spark. E , , UEL The explosion limits are the lower and the upper border concentration in volume percent of a flammable gas or vapor mixed with air between which the mixture can be made to explode by heating or by a spark. E The information included in this field comes from existing human experience, animal observations related to the potential irritation of human eye, and in vitro studies.

F In order to assess bioaccumulation of substance, a test organism such as Bluegill sunfish, Daphnia magna, Fathead minnow, Rainbow trout, or other is selected. The test substance is administered as a suspension directly into the water. A test organism is observed by a specified number of hours. If deleterious effects, due either to toxicity or pathogenicity are observed, sequentially lower doses should be tested. The experiment should establish LC50 value for a particular substance and a test organism (LC50 is a dose required to kill 50 percent of the test organisms). F A list of features provided by an solvent and benefits of its use as suggested in manufacturer’s literature. F Emergency treatment administered to an injured or sick person before professional medical care is available. F The flash point is the lowest temperature in degrees Centigrade at which so much vapor develops under normal pressure that it results in a flammable mixture together with the air over the liquid level. Different methods are used in the test with Cleveland cup being the most suitable method for testing solvents. Cleveland open cup is used to determine flash and fire points of liquids with flash point above 79oC and below 400oC, such as solvents (ASTM D92 Test Method for Flash and Fire Points by Cleveland Open Cup). Standard gives the methods of determination using manual and automatic Cleveland open cup apparatus. About 70 ml of test liquid is heated first rapidly then slowly on approaching an expected flash point. Test flame is applied to surface to ignite vapors. Test flame is natural or bottled gas flame (full description included in the standard). Test flame is applied first when the tem-

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perature is 28oC below expected flash point and then in 2oC intervals. The flash point is the lowest temperature at which vapors are ignited by the test flame. F The following abbreviations are used to describe the method that was used for the data included in the field “Flash point”: CC – closed cup, CCTC – closed cup tag closed, COC – Cleveland open cup, OC – open cup, PMCC - Pensky-Martens closed cup, TCC- tag closed cup, TOC – tag open cup F The temperature at which the liquid and solid phases of a substance of specified composition are in equilibrium at atmospheric pressure. G The ratio of the warming caused by a substance to the warming caused by a similar mass of carbon dioxide. H The total Hildebrand solubility parameter is obtained by addition of the three types of polar interactions: dispersion, polar and hydrogen interactions. Hansen determined the numerical values for the three parameters in the following way: First, the dispersion force is calculated using the homomorph method. The homomorph of a polar molecule is the non-polar molecule most closely resembling it in size and structure. The Hildebrand value for the nonpolar homomorph is assigned to the polar molecule as its dispersion component value. This dispersion value is then subtracted from the Hildebrand value and the remainder designated as a value representing the total polar interaction of the molecule. Through trial and error experimentation on numerous solvents and polymers, Hansen separated the polar value into polar and hydrogen bonding component parameters best reflecting empirical evidence. H It is the quantity of heat liberated per unitary weight when a substance undergoes complete oxidation. It is expressed in MJ per kg. H ’ The solubility of a gas in a liquid is proportional to the pressure of the gas over the solution. Henry law constant is a proportionality factor of this relationship. H The square root of the cohesive energy density as a numerical value indicating the solvency behavior of a specific solvent. HMIS A rating system (HMIS - Hazardous Materials Identification System) has been devised by The National Paint Coatings Association to assist emergency responders. The following are the simple explanations of numerical symbols. Health: 0 – Like ordinary material, 1 – Slightly hazardous, 2 – Hazardous – use breathing apparatus, 3 – Extremely dangerous – use full protective clothing, 4 – Too dangerous to enter – vapor or liquid. Flammability: 0 – Will not burn, 1 – Must be preheated to burn, 2 – Ignites when moderately heated, 3 –

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Ignites at normal temperature, 4 - Extremely flammable. Reactivity: 0 – Normally stable, 1 – Unstable if heated – use normal precaution, 2 – Violent chemical change possible – use hose from distance, 3 – Strong shock or heat may detonate – use monitors, 4 – May detonate – evacuate area if materials are exposed to fire. H It is hydroxyl rate constant of reaction with ozone in the atmosphere. ICAO/IATA Classification for transport by cargo aircraft. The statements are based on the Dangerous Goods Regulation issued by IATA (International Air Transport Association). The class and the packaging group are stated. No account is taken of special regulations stipulated by individual countries or airlines. IMDG This field contains the hazard classification for transport by sea. I Ingestion is the act of taking something (food, medicine, liquid, poison, etc.) into a body through the mouth. Synonyms include “swallowing”, “taking internally”, or “eating”. I Inhalation is the drawing of air or other substances (fumes, mists, vapor, dust, etc.) into lungs (the respiratory system). Common synonym is “breathing in”. IUPAC International Union of Pure and Applied Chemistry, IUPAC, standardized names of organic compounds and created a systematic naming system which is given here. K The Kauri-butanol number, KB, is defined as the number of milliliters of a liquid at 20°C required to reach the cloud point when titrated against 20 gram of a standard 20% Kauri resin (polar nature) solution. LC50 Lethal Concentration 50, LC50, is the concentration of a chemical which kills 50% test animal population. This measure is generally used when test animals are exposed to a test chemical in form of gas or mist. LD50 Lethal Dose 50, LD50, is the dose of a chemical which kills 50% of a sample population. In full reporting, the dose, treatment and observation period should be given. Further, LD50, LC50, ED50 and similar figures are strictly only comparable when the age, sex and nutritional state of the animals is specified. M The name of manufacturer is given for commercial solvents having a particular brand name. For generic compounds the name of manufacturer(s) is also frequently suggested.

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M Information helps to distinguish between solvent composed of a single component or mixture of chemical compounds. M Moisture concentration in a commercial solvent as declared by its manufacturer. M Molar volume is equal to the atomic weight divided by the density. M Indicated whether substance is included or not in Montreal protocol to be eliminated. M The sum of the atomic weights of all the atoms in a molecule. The weight of a molecule of any gas or vapor as compared with the hydrogen atom as a standard. M The capacity of a chemical or physical agent to cause permanent alteration of the genetic material within living cells. Tests of chemical substances and physical agents for mutagenic potential include microbial, insect, mammalian cell, and whole animal tests. N A proper name is used, which, in the case of commercial product, is a brand name given by manufacturer, and the most commonly used name in the case of generic compounds. NFPA classification A rating system has been devised by the National Fire Protection Association, NFPA, to assist emergency responders. The following are the simple explanations of numerical symbols. Health: 0 – Like ordinary material, 1 – Slightly hazardous, 2 – Hazardous – use breathing apparatus, 3 – Extremely dangerous – use full protective clothing, 4 – Too dangerous to enter – vapor or liquid. Flammability: 0 – Will not burn, 1 – Must be preheated to burn, 2 – Ignites when moderately heated, 3 – Ignites at normal temperature, 4 - Extremely flammable. Reactivity: 0 – Normally stable, 1 – Unstable if heated – use normal precaution, 2 – Violent chemical change possible – use hose from distance, 3 – Strong shock or heat may detonate – use monitors, 4 – May detonate – evacuate area if materials are exposed to fire. NIOSH-IDHL Concentration Immediately Dangerous to Life and Health, defined by the NIOSH as follows: “that poses a threat of exposure to airborne contaminants when that exposure is likely to cause death or immediate or delayed permanent adverse health effects or prevent escape from such an environment.” IDLH values are often used for the selection of breathing apparatus that must be available to workers or firefighters in a given situation. NIOSH REL National Institute for Occupational Safety and Health, NIOSH, recommended exposure limits (RELs) will be based on risk evaluations using human or animal health effects data,

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and on an assessment of what levels can be feasibly achieved by engineering controls and measured by analytical techniques. The RELs are given in either mg/m3 or ppm. O Any property detected by the olfactory system. In the case of chemical materials and particularly solvents it helps to distinguish different materials and select non-intrusive materials for application. O Odor threshold is a mean detection threshold, which identifies the concentration at which 50 percent of a human (or animal) panel can identify the presence of an odor or odorant without characterizing the stimulus. OSHA Occupational Safety & Health Administration, OSHA, provided a definition of hazardous and non-hazardous substances as per OSHA 29 CFR 1910.1200. OSHA PEL A Permissible Exposure Limit, PEL, is the maximum amount or concentration of a chemical that a worker may be exposed to under the U.S. Occupational Health and Safety Administration, OSHA, regulations. The PELs are given mg/m3 or ppm. O Any properties which may be useful in evaluation or application of material O The most important properties, which may help in selection for application. O Ozone depletion potentials (ODPs) provide a relative measure of the expected impact on stratospheric ozone per unit mass emission of a gas, as compared to that expected from the same mass emission of CFC-11 integrated over time. O The rate constant for the reaction of ozone with an organic compound. P The organic carbon adsorption coefficient, Koc, is only applicable for individual substances. The Koc can generally be calculated from the octanol/water partition coefficient, Kow. The following equation can be used: log Koc = 0.937 (log Kow) - 0.006. The log Kow is determined in a laboratory without the use of organisms. It is a measure of how polar the substance is by determining whether the substance partitions primarily to water or to octanol. Substances that partition primarily to octanol are likely to bioaccumulate in the fat of organisms. pH The pH value is the negative decadic logarithm of the concentration of hydrogen ions (dimensionless).

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P An empirical scale of solvent polarity, which includes meanwhile a large number of molecular solvents and solvent mixtures. Polarity parameter is determined by the position of the maximum absorption band of the betaine dye in the presence of tested substance. P This field is used primarily in the case of solvents to suggest substitutes having lower toxicity, being more friendly to environment, lowering energy use, or coming from sources which do not deplete resources P Manufacturers recommendations are given. P Components of formulated products are given if available. P A shipping name of product as defined by the US Department of Transportation, which can be found in Hazardous Materials Table (Title CFR49).

R In order to assess bioaccumulation of substance, a test organism such as Bluegill sunfish, Daphnia magna, Fathead minnow, Rainbow trout, or other is selected. The test substance is administered as a suspension directly into the water. A test organism is observed by a specified number of hours. If deleterious effects, due either to toxicity or pathogenicity are observed, sequentially lower doses should be tested. The experiment should establish LC50 value for a particular substance and a test organism (LC50 is a dose required to kill 50 percent of the test organisms). R Manufacturers recommendations are given as to the product application for manufactured goods. R Manufacturers recommendations are given in this field. R The ratio of the velocity of propagation of an electromagnetic wave in vacuum to its velocity in the medium. It is a parameter that helps to identify chemical compounds and means of their selection for use in compositions having predesigned optical properties. Refractive index has been measured at two temperatures 20 and 25oC unless otherwise indicated. R The dielectric constant is a measure of the behavior of the substance when introduced into an electric field (it indicates the multiple to which the capacity of a condenser increases if the substance is between the plates instead of vacuum).

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R / Reproduction toxicity represents any effect on fertility and reproduction that can adversely affect the continuation of the species. Developmental toxicity is any adverse effect induced during the developmental period, i.e. from conception through puberty. The major manifestations of developmental toxicity include death of the developing organism, structural abnormalities, altered growth and functional deficiencies. Developmental toxicity can be considered a component of reproductive toxicity, and sometimes it is difficult to distinguish between effects mediated through the parents versus direct interaction with developmental processes. R The method by which a material enters the body; includes absorption (eye or skin contact), ingestion, and inhalation. RTECS The Registry of Toxic Effects of Chemical Substances (RTECS®) is a comprehensive database of basic toxicity information for over 150,000 chemical substances including: prescription and non-prescription drugs, food additives, pesticides, fungicides, herbicides, solvents, diluents, chemical wastes, reaction products of chemical waste, and substances used in both industrial and household situations. Reports of the toxic effects of each compound are cited. In addition to toxic effects and general toxicology reviews, data on skin and/or eye irritation, mutation, reproductive consequences and tumorigenicity are provided. Federal standards and regulations, NIOSH recommended exposure limits and information on the activities of the EPA, NIOSH, NTP, and OSHA regarding the substance are also included. The toxic effects are linked to literature citations from both published and unpublished governmental reports, and published articles from the scientific literature. The database corresponds to the print version of the Registry of Toxic Effects of Chemical Substances, formerly known as the Toxic Substances List started in 1971. Originally prepared by the National Institute for Occupational Safety and Health (NIOSH), the RTECS® database is now produced and distributed by MDL Information Systems, Inc. S Although several mammalian species may be used, the albino rabbit is the preferred species. Exposure duration normally is four hours. S It is a constant of absorption rate of chemical material by soil. Sometimes it is called a constant of Freundlich equation. S t The concentration of solid material in solution weight percent. S Information on solubility of solvent in water. S Several methods are used to determine specific gravity of the solvents, such as hydrometer, digital density meter, displacement, and pycnometer methods.

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S The temperature in which specific gravity was determined. S The amount of heat in Jules needed to raise the temperature of one mol of a substance by one degree of Kelvin. S State of solvents at room temperature are contained in this field. STEL A Short Term Exposure Limit (STEL) is defined by ACGIH as the concentration to which workers can be exposed continuously for a short period of time without suffering from irritation, chronic or irreversible tissue damage, or narcosis of sufficient degree to increase the likelihood of accidental injury, impair self-rescue or materially reduce work efficiency. S The force acting on the surface of a liquid, tending to minimize the area of the surface; quantitatively, the force that appears to act across a line of unit length on the surface. Also known as interfacial force; interfacial tension; surface tensity. S Chemical or common name of the same product T Most chemicals that produce systemic toxicity do not cause a similar degree of toxicity in all organs but usually produce the major toxicity to one or more organs. These are referred to as target organs of toxicity for that chemical. TDG Any class as defined by Transportation of Dangerous Goods Regulations (federal) and associated provincial/territorial legislation of Canada. T Calculated amount of oxygen required to oxidize a compound to its final oxidation products. However, there are some differences between standard methods that can influence the results obtained: for example, some calculations assume that nitrogen released from organics is generated as ammonia, whereas others allow for ammonia oxidation to nitrate. Therefore in expressing results, the calculation assumptions should always be stated. T The thermal conductivity, λ, is the quantity of heat transmitted, due to unit temperature gradient, in unitary time under steady conditions in a direction normal to a surface of unit area, when the heat transfer is dependent only on the temperature gradient. TLV-TWA 8h The time-weighted average concentration for a conventional 8-hour workday and 40-hour workweek exposure to a substance, to which it is believed that nearly all workers may be repeatedly exposed, day after day, without adverse health effects. The data are given after Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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American Conference of Governmental Industrial Hygienists, ACGIH, National Institute for Occupational Safety and Health, NIOSH, and Occupational Safety & Health Administration, OSHA. UN The UN number is a four-digit number assigned to a potentially hazardous material. These numbers are used by firefighters and other emergency response personnel for identification of materials during transportation emergencies. UN (United Nations) numbers are internationally recognized. UN A list of numbers of risk phrases compiled by UN which characterize behavior of a particular compound UN A list of numbers of safety phrases compiled by UN which should be followed during transportation of a particular compound UN/NA A four digit number representing a particular chemical or group of chemicals. These numbers are assigned by the United Nations (UN Numbers), the U.S. Department of Transportation (NA Numbers), or Transport Canada (NA Numbers). These numbers are commonly used throughout the world to aid in the quick identification of the materials contained within bulk containers (such as rail cars, semi-trailers and intermodal containers). U Ozone formation potential by a chemical material assuming that C2H2 has potential equal 1. UV Major absorption peaks in the UV range are listed. V The density of a gas relative to the density of air. V Vapor pressure is a fundamental thermodynamic property of a solid or liquid. It is the pressure generated at a particular temperature by pure component which has liquid (or solid) and vapor in equilibrium in a closed vessel. Its units are the usual units of pressure (e.g., kPa). The vapor pressure of a liquid increases with temperature between the triple point and the critical point. V The temperature at which vapor pressure was measured. V It is a ratio of shear stress and shear strain expressed in mPa s. V The temperature at which given value of viscosity was measured. Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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3 Solvents 3.1 Acids. Acetic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Acetic acid

CAS #

-

Common name

acetic acid

Common synonyms

ethanoic acid, ethylic acid, methanecarboxylic acid

Empirical formula

-

64-19-7

C2H4O2

Formula

O H3C

OH

Molecular mass

daltons

60.06

RTECS number

-

AF1225000

Chemical category

-

acid

Mixture

-

N

EC number

-

200-580-7

PHYSICAL PROPERTIES State

-

L

Odor

-

vinegar-like

Odor threshold

ppm

0.480

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.366-1.377

Specific gravity

-

1.044

Specific gravity temperature

o

Vapor density

air=1

2.10

Vapor pressure

kPa

2.093

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.34

Enthalpy of vaporization

kJ mol-1

23.70

Enthalpy of vaporization temperature

K

391.1

Acceptor number

-

118.0 16.66

C

25

C

25.0

52.9

Donor number

kcal mol

-1

20.0

Polarity parameter, ET(30)

kcal mol-1

55.2

Acid dissociation constant

-

4.76

Corrosivity

-

Y

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3 Solvents 3.1 Acids. Acetic acid PARAMETER

UNIT

VALUE

Molar volume

cm3 mol-1

57.6

Coefficients of Antoine equation

coefficient A

4.68206

coefficient B

1642.54

coefficient C

-39.764

Temperature range of Antoine equation

K

290.3 to 391.0

pH

-

2.4 to 3.4

Viscosity

mPas (cP)

1.13

Viscosity temperature

o

C

25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.90

Hildebrand solubility parameter

(MPa)1/2

20.66

dD

14.5

dP

8.0

o

o

o

Hansen solubility parameters, (MPa)

infinite 15.50

-1

-1

1/2

27.42

-1

-1

123.09

dH

13.5

Henry’s law constant

atm/m3-mol-1

4.42E-05

Relative permittivity

-

6.17

Flammability

2

Health

3

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

2

Health

3

Reactivity

0

UN risk phrases, R

R34;R42;R35;R10;R36/38

US safety phrases, S

S26,36/37/39; 45;23; 24/25

UN number

-

Autoignition temperature

o

C

2789/2790 463

Flash point

o

C

40.0

Flash point method

-

CC

Explosion limit, lower

wt%

5.40

Explosion limit, upper

wt%

16.00

Threshold limiting value – TWA 8h, ACGIH

mg m-3

25

Threshold limiting value – TWA 8h, ACGIH

ppm

10

Threshold limiting value – TWA 8h, NIOSH

mg m

-3

25

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3 Solvents 3.1 Acids. Acetic acid PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

25

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum exposure concentration NIOSH-IDLH

mg m-3

123

Maximum exposure concentration NIOSH-IDLH

ppm

50

Maximum concentration, any time, NIOSH

mg m

Maximum concentration, any time, NIOSH

ppm

10

Maximum concentration, any time, OSHA

mg m-3

25

Maximum concentration, any time, OSHA

ppm

10

Maximum concentration, 15 min., ACGIH

mg m-3

37

Maximum concentration, 15 min., ACGIH

ppm

15

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

15

Maximum concentration, 15 min., OSHA

mg m-3

24.6

Maximum concentration, 15 min., OSHA

ppm

10

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

6750

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

500 24H Mild

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Skin, Eye, Inh

Ingestion

May be harmful if swallowed

Skin irritation

Causes skin burns

Eye irritation

Causes eye burns. Causes severe eye burns

Inhalation

May be harmful if inhaled, extremely destructive to the tissue of membranes and upper respiratory tract.

-3

-3

-1

25

37

16,000 4H

First aid: eyes First aid: skin

Immediately flush skin with soap and plenty of water

First aid: inhalation

Remove to fresh air. If not breathing, give artificial respiration

Target organs

RspSys,Skin,Eye,Teeth

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

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3 Solvents 3.1 Acids. Acetic acid PARAMETER

UNIT

VALUE

Bioconcentration factor

-

-0.40

Biodegradation probability

-

ECOLOG ICAL PROPERTIES days

Biological oxygen demand, BOD: 5-days test

gg

-1

0.65

Chemical oxygen demand

g g-1

1.09

Theoretical oxygen demand

gg

Hydroxyl rate constant

cm molecule s

1.07

-1

3

Montreal protocol

-1

-1

7.40E-13 N

Partition coefficient

logKow

-0.17

Urban ozone formation potential

C2H4=1

0.02

Soil absorption constant

-

0.01

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Acrylic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Acrylic acid

CAS #

-

79-10-7

IUPAC name

acrylic acid

Common name

ethylenecarboxylic acid

Common synonyms

acroleic acid, 2-propenoic acid

Empirical formula

-

C3H4O2

Formula

O H2C CH2C

OH

Molecular mass

daltons

72.07

RTECS number

-

AS4375000

Chemical category

-

acid

Mixture

-

N

EC number

-

201-177-9

-

L

PHYSICAL PROPERTIES State Odor

-

acrid

Odor threshold

ppm

0.094

Color

-

colorless

Boiling point

o

C

141.0

Freezing point

o

C

12.77

Refractive index at 20 C

-

1.4220

Specific gravity

-

1.050

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

413

Vapor pressure temperature

o

o

C

25

C

20.0

Enthalpy of vaporization

kJ mol

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

Viscosity

53.10

-1

4.25 Y 3

-1

68.9 8.5904

coefficient B

2346.37

coefficient C

269.814

mPas (cP)

1.14

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Acrylic acid PARAMETER

UNIT

VALUE

Viscosity temperature

o

Surface tension at 20 C

mN m-1

28.10

Solubility in water at 20 C

mg kg

miscible

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

o

o

Hansen solubility parameters, (MPa)

1/2

C

25

-4 o

-1

19.94

C (K ) -1

-1

dD

16.6

dP

6.4

dH Henry’s law constant

10.70

10.0

atm/m -mol 3

-1

4.00E-07

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Flammability

2

Health

3

Reactivity

2

Flammability

2

Health

3

Reactivity

2

R10,R20/21/22,R35,R50

US safety phrases, S

S1/2,S26,S36/37/39,S45,S61

UN number

-

UN/NA hazard class

8

UN packaging group

II

DOT class

8

Autoignition temperature

o

C

360

Flash point

o

C

48.0

Flash point method

-

CC

Explosion limit, lower

wt%

2.40

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

5.9

Threshold limiting value – TWA 8h, ACGIH

ppm

2

Threshold limiting value – TWA 8h, NIOSH

mg m-3

6

Threshold limiting value – TWA 8h, NIOSH

ppm

2

Maximum concentration, any time, ACGIH

ppm

2

Maximum concentration, any time, NIOSH

mg m-3

6

Maximum concentration, any time, NIOSH

ppm

2.0

Maximum concentration, any time, OSHA

mg m-3

30

Maximum concentration, any time, OSHA

ppm

10

Animal testing, acute toxicity, Mouse oral LD50

mg kg

2218

8.00 -3

-1

2400/4H

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Acrylic acid PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

294/4H

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

1728/4H

Route of entry

Inh, Skin, Eye, Ing

Ingestion

Harmful if swallowed

Skin irritation

Harmful if absorbed through skin. Causes skin burns

Eye irritation

Causes eye burns. Causes severe eye burns

Inhalation

May be harmful if inhaled. Extremely destructive to the tissue of the mucous membranes

First aid: eyes

Immediately flush with plenty of water

First aid: skin

Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water.

First aid: inhalation

Remove to fresh air. If not breathing, give artificial respiration. Consult physician

Chronic effects

Caused teratogenic & embryotoxic effects in rats injected intraperitoneally at dose of 4.7 and 8 mg/kg of body weight

Target organs

Skin,RspSys,Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

possible for human

Reproduction/developmental toxicity

no data available

ECOLOGICAL PROPERTIES Chemical oxygen demand

g g-1

1.33

Theoretical oxygen demand

g g-1

1.33

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

95

Montreal protocol

-

N

Partition coefficient

logKow

0.35

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

23

Caproic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Caproic acid

CAS #

-

142-62-1

IUPAC name

hexanoic acid

Common name

n-caproic acid

Empirical formula

-

C6H12O2

Formula

O CH3(CH2)4C

OH

Molecular mass

daltons

116.2

RTECS number

-

MO5250000

Chemical category

-

acid

Mixture

-

N

EC number

-

205-550-7

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

205.0

Freezing point

o

C

-2.00

Refractive index at 20 C

-

1.4150

Specific gravity

-

0.927

Specific gravity temperature

o

Vapor density

air=1

4.00

Vapor pressure

kPa

0.024

Vapor pressure temperature

o

o

C

20

C

20

Enthalpy of vaporization

kJ mol

Polarity parameter, ET(30)

kcal mol-1

55.4

Acid dissociation constant

-

4.88

Corrosivity

-

Y

Molar volume

cm3 mol-1

126.3

Coefficients of Antoine equation

coefficient A

4.34853

coefficient B

1512.718

coefficient C

-129.255

Temperature range of Antoine equation

K

371.2 to 452.2

Viscosity

mPas (cP)

2.826

Viscosity temperature

o

C

-1

71.00

25

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24

Caproic acid PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

11000

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

24.16

dD

16.3

dP

4.2

o

Hansen solubility parameters, (MPa)

1/2

-4 o

30.82

C (K ) -1

-1

dH

8.43

11.5

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.60

Flammability

1

Health

2

Reactivity

0

Flammability

1

Health

2

Reactivity

0

3

-1

6.80E-07

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R34

US safety phrases, S

S26,S36/37/39,S45

UN number

-

UN/NA hazard class

8

UN packaging group

III

ICAO/IATA class, packaging group

UN 2829 CAPROIC ACID, 8, III

2829

IMDG class, packaging group

UN 2829 CAPROIC ACID, 8, III

Proper shipping name

Caproic acid

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

OC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

9.30

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2050

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

5000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

630

Route of entry

Skin, Eye

Ingestion

May cause irritation of the digestive tract

Skin irritation

Very hazardous in case of skin contact corrosive, irritant

Eye irritation

Causes eye irritation

380 102.0

-1

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25

Caproic acid PARAMETER

UNIT

VALUE

Inhalation

May cause respiratory tract irritation

First aid: eyes

Check for and remove any contact lenses. Immediately flush eyes with running water for at least 15 minutes, keeping eyelids open. Seek medical attention

First aid: skin

Remove the contaminated clothes as quickly as possible. Place the victim under a deluge shower. If irritation persists, seek medical attention

First aid: inhalation

Allow the victim to rest in a well ventilated area. Seek immediate medical attention

Chronic effects

Chronic eye irritation and severe skin irritation

Target organs

RspSys,SkinEye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.20

Chemical oxygen demand

gg

-1

1.87

Theoretical oxygen demand

gg

-1

Montreal protocol

-

N

Partition coefficient

logKow

1.92

2.20

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

26

Enanthic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Enanthic acid

CAS #

-

111-14-8

IUPAC name

n-heptanoic acid

Common name

heptanoic acid

Common synonyms

n-heptoic acid

Acronym

-

HPA

Empirical formula

-

C7H14O2

Formula

CH3(CH2)5COOH

Molecular mass

daltons

130.2

RTECS number

-

MJ1575000

Chemical category

-

acid

Mixture

-

N

EC number

-

203-838-7

-

L

PHYSICAL PROPERTIES State Odor

-

pungent

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4221

Specific gravity

-

0.900

Specific gravity temperature

o

Vapor density

air=1

4.50

Vapor pressure

kPa

0.1333

Vapor pressure temperature

o

Polarity parameter, ET(30)

kcal mol-1

55.0

Corrosivity

-

Y

Molar volume

cm3 mol-1

143.0

Coefficients of Antoine equation

coefficient A

4.30691

Temperature range of Antoine equation

C

C

223.0 -7.50

20

78

coefficient B

1536.114

coefficient C

-137.446

K

351.0 to 494.6

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

C

3.84 25 3000

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27

Enanthic acid PARAMETER

UNIT

Heat of combustion at 25oC

MJ kg-1

32.27

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.10

Hildebrand solubility parameter

(MPa)1/2

22.09

Hansen solubility parameters, (MPa)1/2

dD

16.1

dP

3.9

dH

7.8

atm/m3-mol-1

3.88E-07

Henry’s law constant

VALUE

HEALTH & SAFETY UN risk phrases, R

R34

US safety phrases, S

S26,S28,S36/37/39,S45

UN number

-

3265

UN/NA hazard class

8

UN packaging group

II

DOT class

8, II

ICAO/IATA class, packaging group

UN 3265 CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (HEPTANOIC ACID), 8, II

IMDG class, packaging group

UN 3265 CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (HEPTANOIC ACID), 8, II

Proper shipping name

corrosive liquid, acidic, n.o.s. (heptanoic acid)

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

0.40

Explosion limit, upper

wt%

4.90

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

7000

Route of entry

Inh, Ing, Eye, Skin

Skin irritation

Causes sever skin burns

Eye irritation

Causes sever eye damage.

First aid: eyes

Immediately call POISON CENTER or doctor/physician. Flush eyes with water as a precaution. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing

380 110.0

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28

Enanthic acid PARAMETER

UNIT

VALUE

First aid: skin

Wash with soap and water. Remove contaminated clothing and shoes. Get medical attention if symptoms occur. Wash contaminated clothing before reuse. Destroy or thoroughly clean contaminated shoes.

First aid: inhalation

Move to fresh air. Treat symptomatically. Get medical attention if symptoms persist.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

USE & PERFORMANCE Manufacturer

Merck Schuchardt OHG

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

29

Ethylhexanoic acid, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylhexanoic acid, 2-

CAS #

-

149-57-5

IUPAC name

2-ethylhexanoic acid

Common name

2-ethylcaproic acid

Common synonyms

3-heptanecarboxylic acid

Acronym

-

2ETHAA

Empirical formula

-

C8H16O2

Formula

CH3(CH2)3CHCOOH CH2CH3

Molecular mass

daltons

144.24

Chemical category

-

acid

Mixture

-

N

EC number

-

205-743-6

Product contents

2-ethylhexanoic acid - 99.8 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

223.0

Freezing point

o

C

-118.00

Refractive index at 20 C

-

o

1.4250

Specific gravity

-

Specific gravity temperature

o

0.908

Vapor density

air=1

5.00

Vapor pressure

kPa

0.004

Vapor pressure temperature

o

Corrosivity

-

C

20

C

20 N

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

3

C

-1

160.0 7 25

Solubility in water at 20 C

mg kg

Heat of combustion at 25oC

MJ kg-1

33.66

dD

15.9

dP

3.6

dH

7.4

o

Hansen solubility parameters, (MPa)

1/2

-1

traces

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30

Ethylhexanoic acid, 2PARAMETER

UNIT

VALUE

Flammability

1

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

1

Health

1

Reactivity

0

UN risk phrases, R

R63

US safety phrases, S

S2,S36/37

UN/NA hazard class

not regulated

UN packaging group

not regulated

DOT class

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C

371

Flash point

o

C

118

Flash point method

-

CC

Explosion limit, lower

wt%

1.04

Explosion limit, upper

wt%

Maximum concentration, any time, ACGIH

mg m

8.64 -3

5

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

2043

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1260

Route of entry

Ing, Skin

Skin irritation

Causes skin irritation. Prolonged or repeated skin contact may cause defatting & dermatitis

Eye irritation

Causes eye irritation

Inhalation

May cause respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Reproduction/developmental toxicity

May cause adverse reproductive effects

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.64

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

31

Formic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Formic acid

CAS #

-

64-18-6

IUPAC name

azane; formic acid

Common name

methanoic acid

Common synonyms

aminic acid, formylic acid

Empirical formula

-

CH2O2

Formula

HCOOH

Molecular mass

daltons

46.03

RTECS number

-

LQ4900000

Chemical category

-

GRAS

Mixture

-

N

EC number

-

200-579-1

-

L

PHYSICAL PROPERTIES State Odor

-

pungent

Odor threshold

ppm

49.0

Color

-

colorless

Boiling point

o

C

100.6

Freezing point

o

C

4.00

Refractive index at 20 C

-

1.3690

Specific gravity

-

1.214

Specific gravity temperature

o

Vapor density

air=1

1.60

Vapor pressure

kPa

5.68

Vapor pressure temperature

o

C

25.0

Evaporation rate

butyl acetate=1

1.14

Enthalpy of vaporization

kJ mol-1

20.08

Enthalpy of vaporization temperature

K

298.2

Acceptor number

-

83.6

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

o

C

25

-1

19.0 57.7 3.75 Y

3

-1

7.9

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32

Formic acid PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

2.00121

coefficient B

515

coefficient C

-139.408

Temperature range of Antoine equation

K

273.6 to 307.3

pH

-

2.3

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

37.58

Solubility in water at 20 C

mg kg

infinite

Heat of combustion at 25oC

MJ kg-1

Specific heat at 25 C

kJ K mol

o

o

C

1.966 25

-1

6.02

-1

-1

99.04

Thermal conductivity at 25 C

Wm K

0.2690

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.01

Hildebrand solubility parameter

(MPa)1/2

24.75

dD

14.6

dP

10.0

o

Hansen solubility parameters, (MPa)

-1

1/2

-1

dH

14.0

Henry’s law constant

atm/m3-mol-1

1.67E-07

Relative permittivity

-

58.0

Flammability

2

Health

3

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R35

US safety phrases, S

S1/2,S23,S26,S45

UN number

-

UN/NA hazard class

8

UN packaging group

II

1779

DOT class

8, II

ICAO/IATA class, packaging group

UN 1779 FORMIC ACID, 8, II

IMDG class, packaging group

UN 1779 FORMIC ACID, 8, II

Proper shipping name

formic acid

Autoignition temperature

o

C

Flash point

o

C

48.0

Explosion limit, lower

wt%

12.00

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

480

38.00 -3

9.4

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Formic acid PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

mg m-3

9

Threshold limiting value – TWA 8h, NIOSH

ppm

5

Threshold limiting value – TWA 8h, OSHA

mg m-3

9

Threshold limiting value – TWA 8h, OSHA

ppm

5 57

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

30

Maximum concentration, 15 min., ACGIH

mg m-3

19

Maximum concentration, 15 min., ACGIH

ppm

10

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

730

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

7968/15M

Route of entry

Inh, Ing, Con

Skin irritation

Highly corrosive! Causes severe skin burns

Eye irritation

Highly corrosive! Causes severe eye damage

Target organs

RspSys,Skin,Kdny,Lvr,Eye

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

-3

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.20

Biological oxygen demand, 20 days

g g-1

0.25

Chemical oxygen demand

gg

-1

0.35

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

-0.60

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

4.50E-13

Montreal protocol

-

N

0.35

Partition coefficient

logKow

-0.54

Urban ozone formation potential

C2H4=1

0.00

Soil absorption constant

-

-0.40

UV absorption

nm

205

USE & PERFORMANCE Manufacturer

BASF AG, Mallinckrodt Baker Inc/Avantor Performance Materials

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

34

Formic acid PARAMETER

UNIT

VALUE

Recommended for products

coatings industry, formic acid is also used in cleaning agents, bleaching agent and tanning agent

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Isobutyric acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutyric acid

CAS #

-

79-31-2

IUPAC name

isobutyric acid

Common name

2-methylpropionic acid

Common synonyms

dimethylacetic acid; propionic acid, 2-methyl-

Empirical formula

-

Formula

C4H8O2 CH3CHCOOH CH3

Molecular mass

daltons

88.11

RTECS number

-

NQ4375000

Chemical category

-

acid

Mixture

-

N

EC number

-

201-195-7

Product contents

Isobutyric acid - 100 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

pungent

Color

-

colorless

Boiling point

o

C

156.0

Freezing point

o

C

-64.00

Refractive index at 20 C o

-

1.3900

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

3.00

Vapor pressure

kPa

0.2

Vapor pressure temperature

o

C

20

Corrosivity

-

Y

Molar volume

cm3 mol-1

93.3

Coefficients of Antoine equation

coefficient A

2.23908

Temperature range of Antoine equation

C

0.948 20

coefficient B

459.215

coefficient C

-220.378

K

330.6 to 425.0

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

C

1.322 20 618000

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36

Isobutyric acid PARAMETER

UNIT

VALUE

Heat of combustion at 25oC

MJ kg-1

25.41

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.86

Hansen solubility parameters, (MPa)1/2

dD

15.7

dP

5.4

dH

10.5

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.70

Flammability

2

Health

3

Reactivity

0

3

-1

8.84E-07

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R21/22

US safety phrases, S

S2

UN number

-

2529

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 2529 Isobutyric acid 3, (8) III

ICAO/IATA class, packaging group

UN 2529 ISOBUTYRIC ACID, 3 (8), III

IMDG class, packaging group

UN 2529 ISOBUTYRIC ACID, 3 (8), III

Proper shipping name

isobutyric acid

Autoignition temperature

o

C

482

Flash point

o

C

77

Flash point method

-

TCC

Explosion limit, lower

wt%

2.0

Explosion limit, upper

wt%

10.0

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

316

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

500

Route of entry

Ing, Skin, Inh

Ingestion

Harmful if swallowed. Causes digestive tract burns

Skin irritation

Causes severe skin burns. Harmful if absorbed through skin

Eye irritation

Causes severe eye burns. Mist or vapor irritating to eyes

Inhalation

Mist or vapor irritating to respiratory tract

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

37

Isobutyric acid PARAMETER

UNIT

VALUE

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

First aid: skin

Promptly flush skin with water until all chemical is removed. Call physician immediately. Remove wash contaminated clothing and destroy.

First aid: inhalation

Remove victim to fresh air. If breathing stops provide artificial respiration. If breathing is difficult, give oxygen. Call medical attention

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biodegradation probability

>95 % readily biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

0.94

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Lactic acid PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Lactic acid

CAS #

-

50-21-5

IUPAC name

2-hydroxypropanoic acid

Common name

2-hydroxypropanoic acid

Empirical formula

-

C3H6O3

Formula

CH3CHCOOH OH

Molecular mass

daltons

90.08

RTECS number

-

OD2800000

Chemical category

-

GRAS

Mixture

-

N

EC number

-

200-018-0

Product contents

lactic acid > 85%; water 99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.416

Specific gravity

-

0.879-0.885

Specific gravity temperature

o

Vapor density

air=1

4.55

Vapor pressure

kPa

0.187

Vapor pressure temperature

o

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

27.5

Solubility in water at 20 C

g kg

52-60

Heat of combustion at 25 C

MJ kg

Specific heat at 25oC

kJ g-1 oC-1

1.98

dD

14.9

dP

4.9

dH

10.7

o

o

Hansen solubility parameters, (MPa)

1/2

165-175 3,520

First aid: eyes

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

First aid: skin

Rinse skin with plenty of water or shower.

First aid: inhalation

Fresh air, rest.

Target organs

Kidneys, respiratory system, eyes, skin, CNS

260 63

ECOLOGICAL PROPERTIES Partition coefficient

logKow

1.15

USE & PERFORMANCE Manufacturer

Daishin, Inchem, DOW

Outstanding properties

heavy-duty cleaning, surface tension lowering ability

Recommended for polymers

epoxy

Recommended for products

cleaning, furnish care, paints, coatings, coalescent, agricultural formulations

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Cresol, mPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cresol, m-

CAS #

-

108-39-4

IUPAC name

3-methylphenol

Common name

3-hydroxytoluene

Common synonym

1-hydroxy-3-methylbenzene

Acronym

-

3MPHL

Empirical formula

-

C7H8O

Formula

O H Molecular mass

daltons

108.15

RTECS number

-

GO6125000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

203-577-9

State

-

L

Odor

-

phenolic

Color

-

colorless

Boiling point

o

C

202

Freezing point

o

C

11

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.54

Specific gravity

-

1.03

Specific gravity temperature

o

Vapor density

air=1

7.07

Vapor pressure

kPa

0.02

Vapor pressure temperature

o

Acceptor number

-

50.4

Polarity parameter, ET(30)

kcal mol-1

52.4

Acid dissociation constant

-

10.1

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.60157

coefficient B

1833.137

coefficient C

-76.414

o

C

22

C

25

N 3

-1

105.0

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Cresol, mPARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

422.6 to 474.2

Viscosity

mPas (cP)

9.8

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

21.68

dD

18.5

dP

6.5

o

Hansen solubility parameters, (MPa)

1/2

C

25

-4 o

25,000 37.66

-1

C (K ) -1

-1

dH Henry’s law constant

7.23

13.7

atm/m -mol 3

-1

7.24E-07

HEALTH & SAFETY NFPA classification

HMIS classification

Flammability

2

Health

3

Reactivity

0

Flammability

1

Health

3

Reactivity

1

UN risk phrases, R

R24/25,R34, R21/22, R36/38

US safety phrases, S

S1/2,S36/37/39,S45

UN number

-

UN/NA hazard class

6.1

2076

UN packaging group

II

DOT class

6.1, II

ICAO/IATA class, packaging group

UN 2076 CRESOLS, LIQUID, 6.1 (8), II

IMDG class, packaging group

UN 2076 CRESOLS, LIQUID, 6.1 (8), II

Proper shipping name

cresols, liquid

Autoignition temperature

o

C

Flash point

o

C

86

Explosion limit, lower

wt%

1.1

Explosion limit, upper

wt%

7.6

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

ppm

558

10

Threshold limiting value – TWA 8h, OSHA

mg m

22

Threshold limiting value – TWA 8h, OSHA

ppm

5

Maximum exposure concentration NIOSH-IDLH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

-3

250 -1

242

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Cresol, mPARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

828

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

2,050-2,830

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.71

Chemical oxygen demand

gg

-1

2.52

Theoretical oxygen demand

gg

-1

Montreal protocol

-

N

Partition coefficient

logKow

1.96

2.52

USE & PERFORMANCE Recommended for products

adhesives, sealants, plating agents, cleaning, degreasing, electronics, fabrics, paints, coatings, solvents

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

74

Cresol, pPARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cresol, p-

CAS #

-

106-44-5

IUPAC name

4-methylphenol

Common name

4-hydroxytoluene

Common synonym

4-hydroxy-1-methylbenzene

Acronym

-

4MPHL

Empirical formula

-

C7H8O

Formula

H O

Molecular mass

daltons

108.2

RTECS number

-

GO6475000

Chemical category

aromatic hydrocarbon

Mixture

-

N

EC number

-

203-398-6

-

S

PHYSICAL PROPERTIES State Odor

-

tar-like

Color

-

colorless

Boiling point

o

C

202

Freezing point

o

C

35

Refractive index at 20oC

-

1.539

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

3.7

Vapor pressure

kPa

0.015

Vapor pressure temperature

o

Acid dissociation constant

-

10.30

Corrosivity

-

N

Molar volume

cm3 mol-1

109.4

Coefficients of Antoine equation

coefficient A

4.14093

coefficient B

1498.579

coefficient C

-112.6

Temperature range of Antoine equation

K

401.2 to 475.0

Viscosity

mPas (cP)

4.5

Viscosity temperature

o

C

C

C

1.02 20

25

50

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Cresol, pPARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

34.0

Solubility in water at 20 C

mg kg-1

19,000

Heat of combustion at 25 C

MJ kg

37.56

Hildebrand solubility parameter

(MPa)1/2

21.68

dD

18.7

dP

5.8

o

o

Hansen solubility parameters, (MPa)

1/2

-1

dH Henry’s law constant

12.0

atm/m -mol 3

-1

7.31E-07

HEALTH & SAFETY NFPA classification

HMIS classification

Flammability

2

Health

3

Reactivity

0

Flammability

1

Health

3

Reactivity

1

UN risk phrases, R

R24/25,R34, R21/22,R36/38

US safety phrases, S

S1/2,S36/37/39,S45

UN number

-

UN/NA hazard class

6.1

UN packaging group

II

3455

DOT class

6.1, II

ICAO/IATA class, packaging group

UN 3455 CRESOLS, SOLID, 6.1 (8), II

IMDG class, packaging group

UN 3455 CRESOLS, SOLID, 6.1 (8), II

Proper shipping name

cresols, solid

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.0

Explosion limit, upper

wt%

7.6

Threshold limiting value – TWA 8h, ACGIH

mg m-3

22

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

22

Threshold limiting value – TWA 8h, OSHA

ppm

5

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

207-1,800

Animal testing, acute toxicity, Mouse oral LD50

mg kg

344

555-559 86

-1

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Cresol, pPARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

301

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 20 days

g g-1

1.44

Chemical oxygen demand

g g-1

2.39

Theoretical oxygen demand

gg

2.52

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

19

Montreal protocol

-

N

Partition coefficient

logKow

1.94

-1 -1

7.7-22.7

USE & PERFORMANCE Recommended for products

disinfectants, deodorizers, cleaning, degreasing, solvent

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Cyclohexanol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyclohexanol

CAS #

-

108-93-0

IUPAC name

cyclohexanol

Common name

cyclohexyl alcohol

Common synonyms

hexalin; hexahydrophenol

Acronym

-

CYHAOL

Empirical formula

-

C6H12O

Formula

OH Molecular mass

daltons

100.18

RTECS number

-

GV8750000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

203-630-6

PHYSICAL PROPERTIES State

-

S

Odor

-

camphor-like

Odor threshold

ppm

0.150

Color

-

colorless to yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4650

Specific gravity

-

0.968

Specific gravity temperature

o

Vapor density

air=1

3.50

Vapor pressure

kPa

0.1333

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

Enthalpy of vaporization

kJ mol-1

45.44

Enthalpy of vaporization temperature

K

431.7

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

105.7

161.1 25.15

C

25

C

20

-1

0.05

25.0 47.2

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Cyclohexanol PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

3.08077

coefficient B

777.363

coefficient C

-182.037

Temperature range of Antoine equation

K

366.9 to 433.8

Viscosity

mPas (cP)

41.07

Viscosity temperature

o

Surface tension at 20oC

mN m-1

33.91

Solubility in water at 20 C

mg kg

42000

o

C

30 -1

Heat of combustion at 25 C

MJ kg

-1

38.43

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.30

Hildebrand solubility parameter

(MPa)1/2

23.32

dD

17.4

dP

4.1

o

Hansen solubility parameters, (MPa)

1/2

dH

13.5

Henry’s law constant

atm/m -mol

Relative permittivity

-

15.00

Flammability

2

Health

1

Reactivity

0

Flammability

1

Health

1

Reactivity

1

3

-1

1.02E-04

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R20/22,R37/38

US safety phrases, S

S24/25

DOT class

not regulated

Autoignition temperature

o

C

300

Flash point

o

C

66

Flash point method

-

CC

Explosion limit, lower

wt%

1.20

Explosion limit, upper

wt%

9.30

Threshold limiting value – TWA 8h, ACGIH

mg m

206

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

200

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m-3

200

Threshold limiting value – TWA 8h, OSHA

ppm

20

-3

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Cyclohexanol PARAMETER

UNIT

VALUE

Maximum exposure concentration NIOSH-IDLH

mg m-3

14595

Maximum exposure concentration NIOSH-IDLH

ppm

400

Maximum concentration, any time, ACGIH

mg m-3

206

Maximum concentration, any time, ACGIH

ppm

50

Maximum concentration, any time, OSHA

mg m-3

200

Maximum concentration, any time, OSHA

ppm

50

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2060

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

12000

Route of entry

Inh, Abs, Ing, Con

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

Target organs

Eye,RspSys,Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-1

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

Theoretical oxygen demand

gg

Bioconcentration factor

-

0.70

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.74E-11

Montreal protocol

-

N

-1

1.97 2.72

Partition coefficient

logKow

1.23

Urban ozone formation potential

C2H4=1

0.19

Soil absorption constant

-

0.91

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Cyclooctanol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyclooctanol

CAS #

-

696-71-9

IUPAC name

cyclooctanol

Empirical formula

-

C8H16O

Formula

OH

Molecular mass

daltons

128.22

Chemical category

-

alcohol

Mixture

-

N

EC number

-

211-800-6

State

-

L

Boiling point

o

C

207.0

Freezing point

o

C

15.0

PHYSICAL PROPERTIES

Refractive index at 20 C

-

o

1.4860

Specific gravity

-

0.966

Vapor pressure

kPa

0.0133

Vapor pressure temperature

o

Corrosivity

-

Molar volume

cm3 mol-1

C

20 N 139.2

Heat of combustion at 25 C

MJ kg

Hansen solubility parameters, (MPa)1/2

dD

17.0

dP

4.7

dH

10.0

Flammability

2

Health

1

Reactivity

1

o

-1

40.22

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R22,R36/38

DOT class

not regulated

Flash point

o

Animal testing, acute toxicity, Rat oral LD50

mg kg

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

88 -1

735

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Cyclooctanol PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

2.62

ECOLOGICAL PROPERTIES

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Dodecanol, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Dodecanol, 1-

CAS #

-

112-53-8

IUPAC name

dodecan-1-ol

Common name

n-dodecanol

Common synonyms

lauryl alcohol

Empirical formula

-

C12H26O

Formula

CH3(CH2)10CH2OH

Molecular mass

daltons

186.3

RTECS number

-

JR5775000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

203-982-0

State

-

L

Odor

-

fatty odor

Color

-

colorless

Boiling point

o

C

259.0

Freezing point

o

C

25

PHYSICAL PROPERTIES

Refractive index at 20 C

-

1.4410

Specific gravity

-

0.831

Specific gravity temperature

o

Vapor density

air=1

3.50

Vapor pressure

kPa

0.0001

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

84.76

Enthalpy of vaporization temperature

K

343.2

Acceptor number

-

29.1

Polarity parameter, ET(30)

kcal mol-1

47.5

Corrosivity

-

N

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.84691

coefficient B

2057.697

o

C

25

C

25

3

-1

224.3

coefficient C

-105.421

Temperature range of Antoine equation

K

376.5 to 437.6

Viscosity

mPas (cP)

15.72

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Dodecanol, 1PARAMETER

UNIT

Viscosity temperature

o

VALUE

C

25

Solubility in water at 20 C

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

20.23

dD

16.0

dP

4.0

o

Hansen solubility parameters, (MPa)

1/2

-4 o

4

C (K ) -1

-1

dH

8.30

9.3

Henry’s law constant

atm/m -mol

Relative permittivity

-

6.50

Flammability

1

Health

1

Reactivity

1

3

-1

5.20E-05

HEALTH & SAFETY HMIS classification

UN risk phrases, R

R50,R36/37/38

US safety phrases, S

S61

UN number

-

UN/NA hazard class

9

UN packaging group

III

ICAO/IATA class, packaging group

UN 3077 ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (1-DODECANOL), 9, III

IMDG class, packaging group

UN 3077 ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (1-DODECANOL), 9, III

Autoignition temperature

o

C

275

Flash point

o

C

115

Explosion limit, lower

wt%

0.60

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

3077

5.11 -1

mg kg

12800

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

19000

Ingestion

May cause irritation of the digestive tract

Skin irritation

May cause skin irritation

Eye irritation

Causes eye irritation

Inhalation

May cause respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

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Dodecanol, 1PARAMETER

UNIT

VALUE

Biological oxygen demand, 5 days

g g-1

0.84

Theoretical oxygen demand

gg

3.09

Montreal protocol

-

N

Partition coefficient

logKow

5.13

ECOLOGICAL PROPERTIES -1

USE & PERFORMANCE Manufacturer

Henkel, Parchem, Acros Organic

Recommended for products

Synthetic detergents, lube additives, rubber, textiles, and esterification agent

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Ethanol (anhydrous) PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethanol (anhydrous)

CAS #

-

64-17-5

IUPAC name

ethanol

Common name

ethyl alcohol

Acronym

-

EtOH

Empirical formula

-

C2H6O

Formula

CH3CH2OH

Molecular mass

daltons

46.069

RTECS number

-

KQ6300000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

200-578-6

Product contents

ethanol >96.0 %

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Odor threshold

ppm

350

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3620

Specific gravity

-

0.794

Specific gravity temperature

o

Vapor density

air=1

1.59

Vapor pressure

kPa

5.9466

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

2.0

Enthalpy of vaporization

kJ mol-1

38.56

Enthalpy of vaporization temperature

K

351.5

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

15.90

Corrosivity

-

N

Molar volume

cm3 mol-1

58.6

78.4 -114.15

C

15

C

20

37.1 32.0 51.9

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Ethanol (anhydrous) PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

5.24677

coefficient B

1598.673

coefficient C

-46.424

Temperature range of Antoine equation

K

292.8 to 366.6

Viscosity

mPas (cP)

1.263

Viscosity temperature

o

Surface tension at 20oC

mN m-1

21.99

Solubility in water at 20 C

mg kg

infinite

o

C

20 -1

Heat of combustion at 25 C

MJ kg

-1

29.67

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.80

Hildebrand solubility parameter

(MPa)1/2

26.43

dD

15.8

dP

8.8

o

Hansen solubility parameters, (MPa)

1/2

dH

19.4

Henry’s law constant

atm/m -mol

Relative permittivity

-

24.30

Flammability

3

Health

0

Reactivity

0

3

-1

5.20E-06

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11

US safety phrases, S

S2,S7,S16

UN number

-

UN/NA hazard class

3

UN packaging group

II

1170

DOT class

3, II

ICAO/IATA class, packaging group

UN 1170 ETHANOL, 3, II

IMDG class, packaging group

UN 1170 ETHANOL, 3, II

Proper shipping name

ethanol

Autoignition temperature

o

C

425

Flash point

o

C

13.0

Flash point method

-

TCC

Explosion limit, lower

wt%

3.30

Explosion limit, upper

wt%

19.00

Threshold limiting value – TWA 8h, ACGIH

mg m-3

1900

Threshold limiting value – TWA 8h, ACGIH

ppm

1000

Threshold limiting value – TWA 8h, NIOSH

mg m

-3

1900

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Ethanol (anhydrous) PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

ppm

1000

Threshold limiting value – TWA 8h, OSHA

mg m-3

1900

Threshold limiting value – TWA 8h, OSHA

ppm

1000

Maximum exposure concentration NIOSH-IDLH

ppm

Animal testing, acute toxicity, Rat oral LD50

3300

mg kg

-1

7060

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

20000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing

First aid: inhalation

Move to fresh air. Treat symptomatically. Get medical attention if symptoms persist.

Target organs

Lvr,CNS,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

20000/10H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.27

Biological oxygen demand, 20 days

gg

-1

1.79

Chemical oxygen demand

g g-1

1.99

Theoretical oxygen demand

gg

2.09

-1

Bioconcentration factor

-

-0.50

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

3.27E-12

Montreal protocol

-

N

Partition coefficient

logKow

-0.31

Urban ozone formation potential

C2H4=1

0.12

Soil absorption constant

-

0.20

UV absorption

nm

99%

PHYSICAL PROPERTIES State

-

L

Odor

-

sweet, ether

Odor threshold

ppm

255

Color

-

colorless

Boiling point

o

C

135.5

Freezing point

o

C

-100.00

Refractive index at 20 C

-

1.4060

Specific gravity

-

0.925

Specific gravity temperature

o

Vapor density

air=1

3.11

Vapor pressure

kPa

0.71

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.38

Enthalpy of vaporization

kJ mol-1

39.22

Enthalpy of vaporization temperature

K

408.1

Polarity parameter, ET(30)

kcal mol-1

5.100

Acid dissociation constant

-

14.80

Corrosivity

-

N

Molar volume

cm3 mol-1

97.5

o

C

C

25

25

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Ethylhexanol, 2PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

6.944

coefficient B

1801.9

coefficient C

230

Viscosity

mPas (cP)

1.85

Viscosity temperature

o

C

25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.50

Hildebrand solubility parameter

(MPa)1/2

20.25

dD

15.9

dP

7.2

o

o

o

Hansen solubility parameters, (MPa)

infinite 28.13

-1

-1

1/2

28.20

-1

210.79

-1

dH

14.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

29.60

Flammability

2

Health

2

Reactivity

1

3

-1

1.23E-07

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R60,R61,R10,R20/21/22

US safety phrases, S

S53,S45

UN number

-

UN/NA hazard class

3

UN packaging group

III

1171

DOT class

3, III

ICAO/IATA class, packaging group

UN 1171 ETHYLENE GLYCOL MONOETHYL ETHER, 3, III

IMDG class, packaging group

UN 1171 ETHYLENE GLYCOL MONOETHYL ETHER, 3, III

Proper shipping name

ethylene glycol monoethyl ether

Autoignition temperature

o

C

235

Flash point

o

C

44

Flash point method

-

CC

Explosion limit, lower

wt%

1.70

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

18

Threshold limiting value – TWA 8h, ACGIH

ppm

5

15.60 -3

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Ethylhexanol, 2PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, NIOSH

mg m-3

1.8

Threshold limiting value – TWA 8h, NIOSH

ppm

0.5

Threshold limiting value – TWA 8h, OSHA

mg m-3

740

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum exposure concentration NIOSH-IDLH

ppm

500

Maximum concentration, any time, NIOSH

mg m

1.8

Maximum concentration, any time, NIOSH

ppm

0.5

Maximum concentration, any time, OSHA

mg m-3

740

Maximum concentration, any time, OSHA

ppm

200

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2125

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

3300

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-3

-1

2000/7H

Route of entry

Inh, Abs, Ing, Con

Ingestion

Harmful if swallowed

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

Causes respiratory tract irritation

First aid: skin

Immediately flush with plenty of for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention. Wash contaminated clothing before reuse. Destroy or thoroughly clean contaminated shoes.

First aid: inhalation

Move to fresh air. Treat symptomatically. Get medical attention if symptoms persist.

Target organs

Lung,Eye,Bld,Kdny,Lvr

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.03

Chemical oxygen demand

gg

-1

1.92

Theoretical oxygen demand

g g-1

1.96

Bioconcentration factor

-

-0.30

Biodegradation probability

-

days-weeks

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Ethylhexanol, 2PARAMETER

UNIT

VALUE

Hydroxyl rate constant

cm3 molecule-1 s-1

1.54E-11

Montreal protocol

-

N

Partition coefficient

logKow

-0.32

Urban ozone formation potential

C2H4=1

0.39

Soil absorption constant

-

1.32

UV absorption

nm

98 wt%

PHYSICAL PROPERTIES State

-

Boiling point

o

L

C

212-218.4

Freezing point

o

C

-4

Refractive index at 20oC

-

1.533

Specific gravity

-

Specific gravity temperature

o

Acid dissociation constant

-

9.9

Corrosivity

-

Y

Molar volume

cm3 mol-1

126.2

Coefficients of Antoine equation

coefficient A

2.78216

coefficient B

849.051

coefficient C

-189.088

Temperature range of Antoine equation

K

370.3 to 491.3

Heat of combustion at 25oC

MJ kg-1

38.6

dD

17.9

dP

4.0

dH

9.9

Flammability

1

Health

1

Reactivity

1

Hansen solubility parameters, (MPa)

1/2

C

1.028 4

HEALTH & SAFETY HMIS classification

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Ethylphenol, 3PARAMETER

UNIT

UN risk phrases, R

R20/21/22

US safety phrases, S

S36/37

VALUE

UN number

-

UN/NA hazard class

8

3145

UN packaging group

III

DOT class

UN 3145 alkylphenols, liquid, n.o.s., corrosive material, 8, III

ICAO/IATA class, packaging group

UN 3145 alkylphenols, liquid, n.o.s., corrosive material, 8, III

IMDG class, packaging group

UN 3145 alkylphenols, liquid, n.o.s., corrosive material, 8, III

Proper shipping name

alkylphenols, liquid, n.o.s., corrosive material

Flash point

o

C

94

Explosion limit, lower

wt%

1.1

Explosion limit, upper

wt%

6.7

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye damage

Inhalation

May cause respiratory tract irritation

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the eyelids. Get medical aid

First aid: skin

Flush skin with plenty of soap and water for at least 15 min, seek medical advice

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Bioconcentration factor

-

40

Montreal protocol

-

N

Partition coefficient

logKow

2.4

USE & PERFORMANCE Recommended for products

adhesives, sealants, paints, coatings, solvents

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Furfuryl alcohol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Furfuryl alcohol

CAS #

-

98-00-0

IUPAC name

2-furylmethanol

Common name

2-furanmethanol

Common synonyms

furfural alcohol

Empirical formula

-

Formula

C5H6O2

O CH2OH

Molecular mass

daltons

98.1

RTECS number

-

LU9100000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

202-626-1

Moisture content

wt%

0.3

Product contents

furfuryl alcohol 60-100%

PHYSICAL PROPERTIES State

-

L

Odor

-

slight pungent

Odor threshold

ppm

8.0

Color

collorless to dark red

Boiling point

o

C

171.0

Freezing point

o

C

-14.60

Refractive index at 20 C o

-

1.4870

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

3.38

Vapor pressure

kPa

0.053

Vapor pressure temperature

o

Evaporation rate

ether=1

443.0

Corrosivity

-

Y

Molar volume

cm3 mol-1

87.1

Coefficients of Antoine equation

coefficient A

8.89637

pH

C

C

1.128 20

20

coefficient B

2581.98

coefficient C

250.683

-

4-6 (30% solution)

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Furfuryl alcohol PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20oC

mg kg-1

Specific heat at 25 C

kJ K mol

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

25.57

dD

17.4

dP

7.6

o

Hansen solubility parameters, (MPa)

VALUE 25

-1

1/2

4.62

C

-4 o

38.00 miscible 205.85

-1

C (K ) -1

-1

dH Henry’s law constant

7.68

15.1

atm/m -mol 3

-1

7.86E-08

HEALTH & SAFETY NFPA classification

Flammability

2

Health

1

Reactivity

1

UN risk phrases, R

R20/21/22,R40,R23,R36/37/38

US safety phrases, S

S2

UN number

-

UN/NA hazard class

6.1

UN packaging group

III

2874

DOT class

6.1, III

ICAO/IATA class, packaging group

UN 2874 FURFURYL ALCOHOL, 6.1, III

IMDG class, packaging group

UN 2874 FURFURYL ALCOHOL, 6.1, III

Proper shipping name

furfuryl alcohol

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

16.30

Threshold limiting value – TWA 8h, ACGIH

mg m-3

40

Threshold limiting value – TWA 8h, ACGIH

ppm

10

490 65

Threshold limiting value – TWA 8h, NIOSH

mg m

40

Threshold limiting value – TWA 8h, NIOSH

ppm

10

Threshold limiting value – TWA 8h, OSHA

mg m-3

200

Threshold limiting value – TWA 8h, OSHA

ppm

50

Maximum exposure concentration NIOSH-IDLH

mg m-3

1020

Maximum exposure concentration NIOSH-IDLH

ppm

75

-3

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Furfuryl alcohol PARAMETER

UNIT

VALUE

Maximum concentration, any time, NIOSH

mg m-3

40

Maximum concentration, any time, NIOSH

ppm

10

Maximum concentration, any time, OSHA

mg m-3

40

Maximum concentration, any time, OSHA

ppm

10

Maximum concentration, 15 min., ACGIH

mg m-3

60

Maximum concentration, 15 min., ACGIH

ppm

10

Maximum concentration, 15 min., NIOSH

mg m-3

60

Maximum concentration, 15 min., NIOSH

ppm

15

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

132-275

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

400-657

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Abs, Ing, Con

Ingestion

Toxic if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Fatal if inhaled

First aid: eyes

In case of contact with eyes, rinse immediately with plenty of water and seek medical advice

First aid: skin

Remove contaminated clothes, rinse skin with water. Get medical advice

First aid: inhalation

IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Immediately call a POISON CENTER

Target organs

RspSys,CNS,Kdny

Carcinogenicity IARC

Suspected of causing cancer

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

Y

41

-3

10 -1

233/4H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.54

Biological oxygen demand, 20 days

g g-1

1.31

Chemical oxygen demand

gg

-1

1.79

Theoretical oxygen demand

g g-1

1.79

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Furfuryl alcohol PARAMETER

UNIT

VALUE

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

224

Bioconcentration factor

-

-0.10

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.04E-10

Montreal protocol

-

N

Partition coefficient

logKow

0.30

Urban ozone formation potential

C2H4=1

1.16

Soil absorption constant

-

0.93

UV absorption

nm

269.5, 215.8 (MeOH)

Manufacturer

-

generic

Recommended for products

Wood impregnation/modification, professional end-use of acid resistant coating

USE & PERFORMANCE

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Hexanol, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Hexanol, 1-

CAS #

-

Common name

n-hexanol

Common synonyms

n-hexyl alcohol; amyl carbinol

Empirical formula

-

111-27-3

C6H14O

Formula

CH3(CH2)5OH

Molecular mass

daltons

102.18

RTECS number

-

MQ4025000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

203-852-3

Product contents

1-hexanol >98%

PHYSICAL PROPERTIES State

-

L

Odor

-

fatty, fruity

Odor threshold

ppm

0.090

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4160

Specific gravity

-

0.820

Specific gravity temperature

o

Vapor density

air=1

3.50

Vapor pressure

kPa

0.1

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.05

Enthalpy of vaporization

kJ mol-1

44.50

Enthalpy of vaporization temperature

K

430.5

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

N

Molar volume

cm3 mol-1

125.2

Coefficients of Antoine equation

coefficient A

4.41271

coefficient B

1422.031

coefficient C

-107.706

157.0 -52.00

C

20

C

20

-1

30.0 48.8

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Hexanol, 1PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

325.3 to 430.4

Viscosity

mPas (cP)

0.592

Viscosity temperature

o

Surface tension at 20oC

mN m-1

25.73

Solubility in water at 20 C

mg kg

-1

5900

Heat of combustion at 25 C

MJ kg

-1

39.11

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.9

dP

5.8

o

o

C

25

-4 o

C (K ) -1

-1

1/2

241.33 9.00 21.89

dH

12.5

Henry’s law constant

atm/m3-mol-1

2.11E-05

Relative permittivity

-

13.30

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R22

US safety phrases, S

S24/25

UN number

-

UN packaging group

III

2282

DOT class

3, III

ICAO/IATA class, packaging group

UN 2282 HEXANOLS, 3, III

IMDG class, packaging group

UN 2282 HEXANOLS, 3, III

Proper shipping name

hexanols

Autoignition temperature

o

C

285

Flash point

o

C

62.0

Flash point method

-

TOC

Explosion limit, lower

wt%

1.20

Explosion limit, upper

wt%

7.70

Threshold limiting value – TWA 8h, OSHA

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

200-2000

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

>2000

Route of entry

Inh, Abs, Ing

Ingestion

Harmful if swallowed

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Hexanol, 1PARAMETER

UNIT

VALUE

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Inhalation

Toxic if inhaled. May cause respiratory irritation

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

First aid: skin

Flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse.

First aid: inhalation

Remove victim to fresh air and keep at rest in a position comfortable for breathing

Target organs

CNS,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.50

Chemical oxygen demand

gg

-1

2.65

Theoretical oxygen demand

gg

-1

2.82

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

201/24H

Aquatic toxicity Fathead minnow, 96-h LC50

mg l

97

-1

Bioconcentration factor

-

1.31

Biodegradation probability

-

77% 30 days

Hydroxyl rate constant

cm3 molecule-1 s-1

1.24E-11

Montreal protocol

-

N

Partition coefficient

logKow

2.03

Urban ozone formation potential

C2H4=1

0.16

Soil absorption constant

-

0.92

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Isobutyl alcohol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutyl alcohol

CAS #

-

78-83-1

IUPAC name

2-methylpropan-1-ol

Common name

isobutanol

Common synonym

2-methyl-1-propanol

Empirical formula

-

C4H10O

Formula

O

H

Molecular mass

daltons

74.14

RTECS number

-

NP9625000

Chemical category

-

alcohol

Mixture

-

N

EC number

-

201-148-0

Product contents

isobutanol, 99.5%

PHYSICAL PROPERTIES State

-

L

Odor

-

sweet, musty

Odor threshold

ppm

1.6

Color

-

colorless

Boiling point

o

Refractive index at 20oC

-

1.3957

Specific gravity

-

0.802

Specific gravity temperature

o

Vapor density

air=1

2.6

Vapor pressure

kPa

0.95

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

C

107.9

C

20

C

20 0.74 41.82

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.43126

coefficient B

1236.991

Temperature range of Antoine equation

-1

381.1 N 3

-1

92.9

coefficient C

-101.528

K

353.4 to 388.8

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Isobutyl alcohol PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

23.0

Solubility in water at 20oC

mg kg-1

85,000

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Thermal conductivity at 25oC

W m-1 K-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.1

dP

5.7

o

o

VALUE 3.9

C

20

-1

-4 o

36.26

-1 -1

133.3

C (K ) -1

181

-1

1/2

10.2 21.48

dH

15.9

Henry’s law constant

atm/m3-mol-1

1.18E-05

Relative permittivity

-

17.93

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R37/38,R41,R67

US safety phrases, S

S7/9,S13,S26,S37/39,S46

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1212 ISOBUTANOL, 3, III

1212

IMDG class, packaging group

UN 1212 ISOBUTANOL, 3, III

Proper shipping name

isobutanol

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.7

Explosion limit, upper

wt%

10.9

Threshold limiting value – TWA 8h, ACGIH

mg m-3

152

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

150

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m

400 31

-3

300

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Isobutyl alcohol PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

mg m-3

24,640

Maximum exposure concentration NIOSH-IDLH

ppm

1,600

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,460-3,100

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

3,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

-1

3,400

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing, Con

Target organs

Eye,Skin,RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

8000/4H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.41

Chemical oxygen demand

gg

-1

2.46

Theoretical oxygen demand

g g-1

2.59

Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l

-1

1,600

Aquatic toxicity, Daphnia magna, 24-h LC50

mg l

-1

1200

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

1,510

Aquatic toxicity, Rainbow trout, 96-h LC50

mg l

1,330

-1

Bioconcentration factor

-

0.35

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

6.44E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.76

Urban ozone formation potential

C2H4=1

0.15

Soil absorption constant

-

0.95

UV absorption

nm

1250

-1

-1

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3.3 Aldehydes Benzaldehyde PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

1.0-5 mg/L/4 hr

Ingestion

Large doses may cause seizures

Skin irritation

May cause allergic reactions and contact dermatitis, it is also a strong sensitizer

Eye irritation

Mild eye irritant

Inhalation

May be a respiratory irritant and cause respiratory failure in high doses

First aid: eyes

Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids

First aid: skin

Remove contaminated clothing and wash exposed area thoroughly with soap and water

First aid: inhalation

Move person to fresh air. If cough or difficulty breathing develops administer oxygen and assist ventilation

Target organs

RspSys,Skin,Kdny, Lvr

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.20

Biological oxygen demand, 20 days

gg

-1

1.68

Theoretical oxygen demand

g g-1

2.42

Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l

-1

1.43

Aquatic toxicity, Daphnia magna, 24-h LC50

mg l

-1

50

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

7.6

Aquatic toxicity, Rainbow trout, 24-h LC50

mg l

15.8/

Biodegradation probability

readily biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

1.48

Manufacturer

-

Femaflavor, Xilong

Recommended for products

pesticides, paints, cleaning products, cosmetics, food, perfumes, pharmaceuticals

-1

USE & PERFORMANCE

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Butyraldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butyraldehyde

CAS #

-

123-72-8

IUPAC name

butanal

Common name

butal

Empirical formula

-

C4H8O

Formula

CH3(CH2)2CH O

Molecular mass

daltons

72.1

RTECS number

-

ES2275000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

204-646-6

State

-

L

Odor

-

pungent

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3770

Specific gravity

-

0.800

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

12.2

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

7.80

Enthalpy of vaporization

kJ mol-1

33.70

Corrosivity

-

N

Molar volume

cm3 mol-1

90.5

Coefficients of Antoine equation

coefficient A

3.59112

coefficient B

952.851

coefficient C

-82.569

Temperature range of Antoine equation

K

303.9 to 347.2

Viscosity

mPas (cP)

0.43

Viscosity temperature

o

Surface tension at 20 C

mN m

PHYSICAL PROPERTIES

o

75.0 -97.00

C

25

C

20

C

25 -1

29.90

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153

Butyraldehyde PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

70000

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

18.06

dD

15.6

dP

10.1

o

Hansen solubility parameters, (MPa)

1/2

-4 o

33.53

C (K ) -1

-1

dH

13.80

6.2

Henry’s law constant

atm/m -mol

Relative permittivity

-

13.40

Flammability

3

Health

3

Reactivity

0

Flammability

3

Health

3

Reactivity

0

3

-1

1.18E-04

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11

US safety phrases, S

S2,S9,S29,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1129 Butyraldehyde, 3, II

ICAO/IATA class, packaging group

UN 1129 BUTYRALDEHYDE, 3, II

IMDG class, packaging group

UN 1129 BUTYRALDEHYDE, 3, II

Proper shipping name

flammable liquid, n.s.o. (butyraldehyde)

Autoignition temperature

o

C

199

Flash point

o

C

-12.0

Flash point method

-

SCC

Explosion limit, lower

wt%

2.50

Explosion limit, upper

wt%

12.50

Threshold limiting value – TWA 8h, OSHA

ppm

1129

1

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

2490

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

3560

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8000/4H

Ingestion

May be harmful if swallowed

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154

Butyraldehyde PARAMETER

UNIT

VALUE

Skin irritation

Very hazardous in case of skin contact (irritant, permeator)

Eye irritation

Causes eye irritation

Inhalation

Hazardous in case of inhalation

Target organs

Blood,Lvr,RspSys

Carcinogenicity IARC

P

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.11

Biological oxygen demand, 20 days

g g-1

1.61

Chemical oxygen demand

gg

-1

2.44

Theoretical oxygen demand

g g-1

2.44

Montreal protocol

-

N

Partition coefficient

logKow

0.82

USE & PERFORMANCE Recommended for products

intermediate for the chemical industry, the manufacture of pharmaceuticals, crop protection products, pesticides, synthetic resins

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155

Cinnamaldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cinnamaldehyde

CAS #

-

104-55-2

IUPAC name

3-phenylprop-2-enal

Common name

3-phenyl-2-propenal

Empirical formula

-

C9H8O

Formula

O Molecular mass

daltons

132.1

RTECS number

-

GD6475000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

203-213-9

-

L

PHYSICAL PROPERTIES State Odor

-

cinnamon

Color

-

yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.6200

Specific gravity

-

1.049

Vapor density

air=1

4.60

Vapor pressure

kPa

0.01

Vapor pressure temperature

o

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

Temperature range of Antoine equation

253.0 -7.00

C

20 3

-1

126.9 5.45068

coefficient B

2676.568

coefficient C

-27.816

K

349.2 to 519.0

Viscosity

mPas (cP)

Viscosity temperature

o

Heat of combustion at 25oC

MJ kg-1

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

18.8

dP

9.2

dH

6.1

C

5.4 25

1/2

37.46 23.67

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156

Cinnamaldehyde PARAMETER

UNIT

VALUE

Relative permittivity

-

16.90

HEALTH & SAFETY US safety phrases, S

S24/25;S37/39

Flash point

o

Flash point method

-

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2220

Animal testing, acute toxicity, Mouse oral LD50

mg kg

-1

2225

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

2200

C

120 CC

Route of entry

Skin, Eye, ResSys

Ingestion

Irritating to mouth, throat and stomach.

Skin irritation

Irritating skin

Eye irritation

Irritating to eye, redness and pain

Inhalation

Irritating to respiratory system

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.90

USE & PERFORMANCE Manufacturer

DSM, Haarman & Reimer GmbH, Rhodia Chimie

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157

Crotonaldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Crotonaldehyde

CAS #

-

4170-30-3

IUPAC name

but-2-enal

Common name

propylene aldehyde

Common synonyms

2-butenal; methyl propenal

Empirical formula

-

C4H6O

Formula

O

Molecular mass

daltons

70.1

RTECS number

-

GP9499000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

224-030-0

State

-

L

Odor

-

pungent

Odor threshold

ppm

21.0

Color

-

colorless

Boiling point

o

C

102.0

Freezing point

o

C

-76.50

PHYSICAL PROPERTIES

Refractive index at 20 C

-

o

1.4360

Specific gravity

-

Specific gravity temperature

o

0.850

Vapor density

air=1

2.41

Vapor pressure

kPa

2.53

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol

C

20

C

20 -1

37.30

Corrosivity

-

N

Molar volume

cm3 mol-1

80.5

Viscosity

mPas (cP)

0.428

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

C

25 150000

Heat of combustion at 25 C

MJ kg

-1

32.39

Coefficient of thermal expansion

10-4 oC-1 (K-1)

13.10

o

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158

Crotonaldehyde PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

16.1

dP

12.2

Henry’s law constant

dH

8.1

atm/m3-mol-1

1.68E-05

Flammability

3

Health

4

Reactivity

2

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R24/25,R26,R37/38,R41,R48/22,R 50,R68

US safety phrases, S

S1/2,S26,S28,S36/37/39,S45,S61

UN number

-

UN/NA hazard class

6.1 (3)

1143

UN packaging group

I

ICAO/IATA class, packaging group

forbidden

IMDG class, packaging group

UN 1143 CROTONALDEHYDE, STABILIZED, 6.1 (3), I, Marine Pollutant: P

Proper shipping name

crotonaldehyde, stabilized

Autoignition temperature

o

C

232

Flash point

o

C

13.0

Flash point method

-

OC

Explosion limit, lower

wt%

2.10

Explosion limit, upper

wt%

15.50

Threshold limiting value – TWA 8h, ACGIH

mg m

5.7

Threshold limiting value – TWA 8h, ACGIH

ppm

2

Maximum exposure concentration NIOSH-IDLH

ppm

50

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

206

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-3

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.51

Chemical oxygen demand

gg

-1

1.33

Theoretical oxygen demand

gg

-1

1.37

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Crotonaldehyde PARAMETER

UNIT

VALUE

Montreal protocol

-

N

Partition coefficient

logKow

0.60

USE & PERFORMANCE Manufacturer

Celanese GmbH, Hoechst AG

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160

Ethylhexaldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethylhexaldehyde

CAS #

-

123-05-7

IUPAC name

2-ethylhexanal

Common name

2-ethylcaproaldehyde

Common synonyms

butyl ethyl acetaldehyde

Acronym

-

2ETHXALD

Empirical formula

-

C8H16O

Formula

CH3(CH2)3CHCHO CH2CH3

Molecular mass

daltons

128.24

RTECS number

-

MN7525000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

204-596-5

Product contents

ethylhexaldehyde >99 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

159.6

Freezing point

o

C

-85.0

Refractive index at 20 C

-

1.4150

Specific gravity

-

0.882

Specific gravity temperature

o

Vapor density

air=1

4.50

Vapor pressure

kPa

0.2

Vapor pressure temperature

o

C

20

Molar volume

cm3 mol-1

155.4

Viscosity

mPas (cP)

1.093

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

o

o

C

20

C

25

-4 o

700 39.26

-1

C (K ) -1

-1

10.60

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Ethylhexaldehyde PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

15.9

dP

6.3

dH

4.5

Flammability

2

Health

2

Reactivity

1

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R38

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

UN 1191 octyl aldehydes, combustible liquid, 3, III

Proper shipping name

octyl aldehydes, combustible liquid

ICAO/IATA class, packaging group

UN 1191 OCTYL ALDEHYDES, 3, III

IMDG class, packaging group

UN 1191 OCTYL ALDEHYDES, 3, III

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

0.85

Explosion limit, upper

wt%

7.20

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3730

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

5040

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

4000/4H

1191

190 44

Route of entry

Ing, Interperitaneal, Inh, Skin

Ingestion

May be harmful if swallowed

Skin irritation

May cause an allergic skin reaction

Eye irritation

Causes eye irritation

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the eyelids. Get medical aid

First aid: skin

Flush skin with plenty of soap and water for at least 15 min, seek medical advice

First aid: inhalation

Remove from exposure to fresh air immediately, If not breathing, give artificial respiration.Get medical aid

Carcinogenicity IARC

N

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Ethylhexaldehyde PARAMETER

UNIT

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Biodegradation probability

readily biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

2.71

USE & PERFORMANCE Recommended for products

Disinfectants, pharmaceuticals and odorous substances

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Formaldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Formaldehyde

CAS #

-

50-00-0

IUPAC name

formaldehyde

Common name

oxymethylene

Common synonyms

methylene oxide, methanal

Empirical formula

-

CH2O

Formula

H2 C

O

Molecular mass

daltons

30.03

RTECS number

-

LP8925000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

200-001-8

PHYSICAL PROPERTIES State

-

G

Odor

-

pungent

Odor threshold

ppm

0.830

Color

-

colorless

Boiling point

o

C

-19

Freezing point

o

C

-92

Refractive index at 20 C

-

1.3760

Specific gravity

-

0.840

Specific gravity temperature

o

Vapor density

air=1

1.00

Vapor pressure

kPa

437.87

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

23.30

Enthalpy of vaporization temperature

K

bp

Corrosivity

-

N

Molar volume

cm3 mol-1

36.9

Coefficients of Antoine equation

coefficient A

4.28176

o

C

20

C

20

coefficient B

959.43

coefficient C

-29.758

Temperature range of Antoine equation

K

163.8 to 250.9

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

o

-1

400,000 26.87

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Formaldehyde PARAMETER

UNIT

Hildebrand solubility parameter Hansen solubility parameters, (MPa)

1/2

VALUE

(MPa)1/2

23.93

dD

12.8

dP

14.4

dH Henry’s law constant

15.4

atm/m -mol 3

-1

3.36E-07

HEALTH & SAFETY NFPA classification

Flammability

4

Health

2

Reactivity

0

UN risk phrases, R

R40,R23/24/25,R34,R43

US safety phrases, S

S1/2,S26,S36/37/39,S45,S51

UN number

-

UN/NA hazard class

9

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

7.0

Explosion limit, upper

wt%

73.0

Threshold limiting value – TWA 8h, ACGIH

ppm

Threshold limiting value – TWA 8h, NIOSH

mg m

0.019

Threshold limiting value – TWA 8h, NIOSH

ppm

0.016

Threshold limiting value – TWA 8h, OSHA

mg m-3

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

20

Maximum concentration, any time, ACGIH

mg m-3

37

Maximum concentration, any time, ACGIH

ppm

0.3

Maximum concentration, any time, NIOSH

ppm

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

100

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

270

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

1198/2209 430 85.0

0.3 -3

-3

1.25 37

0.1 -3

2.5 2

-1

250/4H

Route of entry

Inh, Ing, Con

Ingestion

Toxic if swallowed

Skin irritation

Corrosive! Damages skin. May cause an allergic skin reaction

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Formaldehyde PARAMETER

UNIT

VALUE

Eye irritation

Corrosive! Damages eyes

Inhalation

Causes temporary irritation of the respiratory tract

Target organs

RspSys,Eye,Skin

Carcinogenicity IARC

2A

Carcinogenicity NTP

P

Carcinogenicity OSHA

Z

Mutagenic properties

Y

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.74

Biological oxygen demand, 20 days

g g-1

1.22

Chemical oxygen demand

gg

-1

1.07

Theoretical oxygen demand

g g-1

1.07

Bioconcentration factor

-

0.04

Biodegradation probability

-

days

Hydroxyl rate constant

cm3 molecule-1 s-1

9.70E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.35

Urban ozone formation potential

C2H4=1

1.23

Soil absorption constant

-

1.57

UV absorption

nm

290

C

285

-3

2,410/4H

USE & PERFORMANCE Potential substitute for

formaldehyde (embalming fluids)

Recommended for polymers

polyacrylamide, polyvinyl alcohols, cellulose

Recommended for products

intermediate, disinfectant, textiles, paper, adhesives, coatings, H2S scavenger in crude oil and gas industry, cleaning agent, photographic industry, leather tanning, polymer solubilizer and crosslinker

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Isobutyraldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutyraldehyde

CAS #

-

78-84-2

IUPAC name

2-methylpropanal

Common name

2-methyl-1-propanol

Common synonyms

isobutanal

Acronym

-

ISOBTALD

Empirical formula

-

C4H8O

Formula

CH3CHCHO CH3

Molecular mass

daltons

72.11

RTECS number

-

NQ4025000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

201-149-6

Properties

acidity 99.5 wt%, butyraldehyde 0.3 wt %, water 0.3 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

pungent

Color

-

colorless

Boiling point

o

C

64.0

Freezing point

o

C

-65.0

Specific gravity

-

Specific gravity temperature

o

0.780

Vapor density

air=1

2.50

Vapor pressure

kPa

23.065

Vapor pressure temperature

o

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

3.87395

coefficient B

1060.141

coefficient C

-63.196

Temperature range of Antoine equation

K

286.1 to 336.0

Viscosity

mPas (cP)

0.43

Viscosity temperature

o

Surface tension at 20oC

mN m-1

C

25.8

C

25 3

C

-1

89.4

20 22.0

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Isobutyraldehyde PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

67000

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

15.7

dP

10.7

o

Henry’s law constant

-4 o

33.53

C (K ) -1

-1

14.40

dH

6.1

atm/m3-mol-1

1.72E-04

Flammability

3

Health

2

Reactivity

1

Flammability

3

Health

2

Reactivity

1

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11

US safety phrases, S

S2,S9,S16,S23,S24/25,S33

UN number

-

2045

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 2045 ISOBUTYRALDEHYDE, 3, II

IMDG class, packaging group

UN 2045 ISOBUTYRALDEHYDE, 3, II

Proper shipping name

isobutyraldehyde

Autoignition temperature

o

C

180

Flash point

o

C

-5.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.60

Explosion limit, upper

wt%

11.0

Maximum concentration, 15 min., OSHA

ppm

3730

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

5630

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8000/4H

Route of entry

Ing, Skin, Eye

Ingestion

Harmful if swallowed

Skin irritation

May be harmful if inhaled. May cause respiratory tract irritation

Eye irritation

May cause eye irritation

Inhalation

May cause respiratory track irritation

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Isobutyraldehyde PARAMETER

UNIT

VALUE

First aid: eyes

Rinse eyes immediately with large amounts of water for at least 15 minutes, occasionally lifting the eyelids. Get medical attention.

First aid: skin

Promptly flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse.

First aid: inhalation

Remove victim to fresh air and keep at rest in a position comfortable for breathing. Call physician

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.61

Chemical oxygen demand

g g-1

2.24

Theoretical oxygen demand

gg

2.44

Aquatic toxicity, Daphnia magna, 48-h LC50

mg l

Atmospheric half-life

h

9.76

Montreal protocol

-

N

Partition coefficient

logKow

0.74

-1 -1

22

USE & PERFORMANCE Recommended for products

Paints and coatings resins

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Propionaldehyde PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Propionaldehyde

CAS #

-

123-38-6

IUPAC name

propanal

Common name

methylacetaldehyde

Common synonyms

propyl aldehyde

Empirical formula

-

Formula

C3H6O

CH3CH2CHO

Molecular mass

daltons

58.08

RTECS number

-

UE0350000

Chemical category

-

aldehyde

Mixture

-

N

EC number

-

204-623-0

Product contents

propionaldehyde 98 wt%, water 2 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

pungent

Odor threshold

ppm

0.008

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3590

Specific gravity

-

0.800

Specific gravity temperature

o

Vapor density

air=1

2.0

Vapor pressure

kPa

31.3

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

28.31

Enthalpy of vaporization temperature

K

321.1

Corrosivity

-

N

Molar volume

cm3 mol-1

73.4

Coefficients of Antoine equation

coefficient A

6.2336

coefficient B

1180

coefficient C

231

C

C

Viscosity

mPas (cP)

Viscosity temperature

o

C

49.0 -81.0

25

20

0.32 25

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Propionaldehyde PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

200000

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

18.94

dD

15.3

dP

11.1

o

Hansen solubility parameters, (MPa)

1/2

-4 o

30.36

C (K ) -1

-1

dH

15.70

6.9

Henry’s law constant

atm/m -mol

Relative permittivity

-

18.90

Flammability

3

Health

2

Reactivity

2

3

-1

4.30E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R36/37/38

US safety phrases, S

S9,S16,S29

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1275 PROPIONALDEHYDE, 3, II

1275

IMDG class, packaging group

UN 1275 PROPIONALDEHYDE, 3, II

Proper shipping name

propionaldehyde

Autoignition temperature

o

C

207

Flash point

o

C

-27.0

Flash point method

-

TCC

Explosion limit, lower

wt%

2.60

Explosion limit, upper

wt%

17.0

Maximum concentration, any time, ACGIH

ppm

20

Maximum concentration, any time, OSHA

mg m

48

Maximum concentration, any time, OSHA

ppm

20

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

800-1600

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

4035

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Skin, Ing, Subcutaneous

Ingestion

Harmful if swallowed.

Skin irritation

Causes skin irritation.

-3

-1

8000/4H

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Propionaldehyde PARAMETER

UNIT

VALUE

Eye irritation

Causes eye irritation. Causes eye burns.

Inhalation

Extremely irritating to respiratory system.

First aid: eyes

Rinse immediately for at least 15 minutes with plenty of water. Immediate medical attention required.

First aid: skin

Wash immediately affected areas with water while removing contaminated clothing. Immediate medical attention required.

First aid: inhalation

Remove immediately the affected individual into fresh air and keep the person calm. Assist in breathing if necessary. Immediate medical attention required.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0.88

Chemical oxygen demand

g g-1

2.13

Theoretical oxygen demand

gg

2.20

Aquatic toxicity, Bluegill sunfish, 96-h LC50

mg l

Montreal protocol

-

N

Partition coefficient

logKow

0.59

-1 -1

130

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180

3.4 Aliphatic hydrocarbons Butane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Butane

CAS #

-

106-97-8

IUPAC name

butane

Common name

n-butane (liquified gas)

Common synonyms

methylethylmethane; diethyl

Empirical formula

-

C4H10

Formula

CH3(CH2)2CH3

Molecular mass

daltons

58.1

RTECS number

-

EJ4200000

Chemical category

aliphatic hydrocarbon

EC number

-

203-448-7

PHYSICAL PROPERTIES State

-

G

Odor

-

faint

Odor threshold

ppm

204.0

Color

-

colorless

Boiling point

o

C

-0.5

Freezing point

o

C

-138.0

Refractive index at 20 C

-

1.3330

Specific gravity

-

0.600

Specific gravity temperature

o

Vapor density

air=1

2.10

Vapor pressure

kPa

213.7

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

22.44

Enthalpy of vaporization temperature

K

272.7

Corrosivity

-

N

Molar volume

cm3 mol-1

96.5

Coefficients of Antoine equation

coefficient A

4.35576

o

C

0

C

21.0

coefficient B

1175.581

coefficient C

-2.071

Temperature range of Antoine equation

K

272.7 to 425.0

Surface tension at 20oC

mN m-1

14.87

Solubility in water at 20 C

mg kg

-1

65

Heat of combustion at 25 C

MJ kg

-1

49.33

o

o

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181

3.4 Aliphatic hydrocarbons Butane PARAMETER Coefficient of thermal expansion Hansen solubility parameters, (MPa)

1/2

UNIT

VALUE

10-4 oC-1 (K-1)

20.70

dD

14.1

dP

0.0

dH

0.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

1.40

Flammability

4

Health

1

Reactivity

0

3

-1

9.16E-01

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R12,R45,R46

US safety phrases, S

S2,S9,S16,S53,S54

UN number

-

UN/NA hazard class

2.1

Autoignition temperature

o

C

287

Flash point

o

C

-56.0

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

8.40

Threshold limiting value – TWA 8h, ACGIH

mg m-3

1900

Threshold limiting value – TWA 8h, ACGIH

ppm

800

1011

Threshold limiting value – TWA 8h, NIOSH

mg m

1900

Threshold limiting value – TWA 8h, NIOSH

ppm

800

Maximum concentration, any time, ACGIH

mg m-3

1900

Maximum concentration, any time, ACGIH

ppm

800

Maximum concentration, any time, NIOSH

mg m-3

1900

Maximum concentration, any time, NIOSH

ppm

800

Maximum concentration, any time, OSHA

ppm

800

Route of entry

Inh, Skin, Eye

Target organs

CNS,Lungs,Eye,Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-3

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.89

Recommended for products

propellant, fuel, organic synthesis

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182

Cyclohexane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyclohexane

CAS #

-

110-82-7

IUPAC name

cyclohexane

Common name

hexamethylene

Common synonyms

hexahydrobenzene

Acronym

-

CYHA

Empirical formula

-

C6H12

Molecular mass

daltons

84.2 GU6300000

Formula

RTECS number

-

Chemical category

aliphatic hydrocarbon

Mixture

-

N

EC number

-

203-806-2

-

L

PHYSICAL PROPERTIES State Odor

-

gasoline

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4270

Specific gravity

-

0.779

Specific gravity temperature

o

Vapor density

air=1

2.90

Vapor pressure

kPa

10.3

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

5.60

Enthalpy of vaporization

kJ mol-1

29.97

Enthalpy of vaporization temperature

K

353.9

Acceptor number

-

Donor number

kcal mol

Polarity parameter, ET(30)

kcal mol-1

30.9

Corrosivity

-

N

Molar volume

cm mol

81.0 7.0

C

20

C

20

1.6

3

-1

-1

0.0

108.9

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Cyclohexane PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.13983

coefficient B

1316.554

coefficient C

-35.581

Temperature range of Antoine equation

K

323.0 to 523.0

Viscosity

mPas (cP)

0.98

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

16.48

dD

16.8

dP

0.0

o

Hansen solubility parameters, (MPa)

1/2

C

20

-4 o

56 46.57

-1

C (K ) -1

-1

dH

11.60

0.2

Henry’s law constant

atm/m -mol

Relative permittivity

-

2.00

Flammability

3

Health

1

Reactivity

0

Flammability

3

Health

1

Reactivity

1

3

-1

1.94E-01

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

R11,R38,R50/53,R65,R67

US safety phrases, S

S9,S16,S25,S33,S60,S61,S62

UN number

-

1145

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1145 CYCLOHEXANE, 3, II

IMDG class, packaging group

UN 1145 CYCLOHEXANE, 3, II

Proper shipping name

cyclohexane

Autoignition temperature

o

C

260

Flash point

o

C

-18.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

8.40 -3

1,030

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Cyclohexane PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

300

Threshold limiting value – TWA 8h, NIOSH

mg m-3

1,050

Threshold limiting value – TWA 8h, NIOSH

ppm

300

Threshold limiting value – TWA 8h, OSHA

mg m-3

1,050

Threshold limiting value – TWA 8h, OSHA

ppm

300 4,472

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, any time, NIOSH

mg m

Maximum concentration, any time, NIOSH

ppm

100

Maximum concentration, any time, OSHA

mg m-3

1,050

Maximum concentration, any time, OSHA

ppm

100

Maximum concentration, 15 min., NIOSH

mg m-3

1,050

Maximum concentration, 15 min., NIOSH

ppm

300

Maximum concentration, 15 min., OSHA

mg m

Maximum concentration, 15 min., OSHA

ppm

300

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

12,705

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

813

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

7,444/6H

Route of entry

Inh, Abs, Ing, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

-3

1300 100 1,050

-3

1,050

-3

ECOLOGICAL PROPERTIES Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

117

Theoretical oxygen demand

gg

3.42

Montreal protocol

-

N

Partition coefficient

logKow

3.44

-1

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Cyclopentane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyclopentane

CAS #

-

287-92-3

IUPAC name

cyclopentane

Common name

pentamethylene

Acronym

-

CYPN

Empirical formula

-

C5H10

Molecular mass

daltons

70.1

RTECS number

-

GY2390000

Chemical category

aliphatic hydrocarbon

Mixture

-

Y

EC number

-

206-016-6

Product contents

cyclopentane >95 wt%, pentanes 4,000

First aid: eyes

In case of contact with the eyes, rinse immediately for at least 15 minutes with plenty of water. Immediate medical attention required.

First aid: skin

Wash affected areas thoroughly with soap and water. Remove contaminated clothing. If irritation develops, seek medical attention.

First aid: inhalation

Keep patient calm, remove to fresh air. Assist in breathing if necessary. Consult a physician.

Mutagenic properties

N

Reproduction/developmental toxicity

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 48-h LC50

mg l-1

7.59

Bioconcentration factor

-

2.5-32.9

Biodegradation probability

readily biodegradable

Partition coefficient

logKow

3.3-4.15

Manufacturer

-

BASF

Recommended for products

Surfactants, intermediates, solvents, laundry, dishwashing, hair conditioning, electronics

USE & PERFORMANCE

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Picoline, 3PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Picoline, 3-

CAS #

-

108-99-6

IUPAC name

3-methylpyridine

Common name

3-methylpirydine

Empirical formula

-

C6H7N

Formula

N Molecular mass

daltons

93.13

RTECS number

-

TJ5000000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

203-636-9

Product contents

3-Picoline, 100 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

144

Freezing point

o

C

-18.3

Refractive index at 20 C

-

1.504

Specific gravity

-

0.96

Specific gravity temperature

o

Vapor density

air=1

3.2

Vapor pressure

kPa

0.81

Vapor pressure temperature

o

o

C

20

C

25 37.35

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

417.3

Corrosivity

-

N

Molar volume

cm3 mol-1

100.1

Coefficients of Antoine equation

coefficient A

4.17879

Temperature range of Antoine equation

-1

coefficient B

1484.307

coefficient C

-61.606

K

347.2 to 457.7

Viscosity

mPas (cP)

Viscosity temperature

o

C

0.87 25

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Picoline, 3PARAMETER

UNIT

Solubility in water at 20oC

mg kg-1

miscible

Coefficient of thermal expansion

10-4 oC-1 (K-1)

9.68

Hildebrand solubility parameter

(MPa)1/2

20.52

Hansen solubility parameters, (MPa)1/2

dD

18.9

dP

6.7

Henry’s law constant

VALUE

dH

4.4

atm/m3-mol-1

7.22E-06

Flammability

2

Health

3

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/21/22,R36/37

US safety phrases, S

S26,S36

UN number

-

2313

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 2313 PICOLINES, 3, III

IMDG class, packaging group

UN 2313 PICOLINES, 3, III

Proper shipping name

picolines

Autoignition temperature

o

C

488

Flash point

o

C

37

Flash point method

-

TCC

Explosion limit, lower

wt%

1.3

Explosion limit, upper

wt%

8.7

Animal testing, acute toxicity, Rat oral LD50

mg kg

400

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

200-1,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8,700/2H

Route of entry

Intraperitoneal, Ing, Skin

Ingestion

Harmful if swallowed.

Skin irritation

MAY BE ABSORBED THROUGH SKIN!

Eye irritation

Irritating to eyes.

Inhalation

Irritating to respiratory system.

First aid: eyes

IMMEDIATELY flush eyes with a directed stream of water for at least 15 minutes. Get medical aid.

-1

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Picoline, 3PARAMETER

UNIT

VALUE

First aid: skin

Remove contaminated clothing. Flush exposed area for 20 min with water. Seek medical attention if irritation persists.

First aid: inhalation

Remove contaminated clothing. Flush exposed area for 20 min with water. Seek medical attention if irritation persists.

Target organs

kin, Eye, RspSys

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

144

Montreal protocol

-

N

Partition coefficient

logKow

1.2

USE & PERFORMANCE Recommended for products

Process solvent. Intermediate in dye and resins industries.

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Piperazine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Piperazine

CAS #

-

110-85-0

IUPAC name

piperazine

Common name

Diethylenediamine

Common synonym

1,4-Diazacyclohexane

Empirical formula

-

C4H10N2

Formula

H N

N H

Molecular mass

daltons

86.138

RTECS number

-

TK7800000

Chemical category

-

amine

EC number

-

203-808-3

PHYSICAL PROPERTIES State

-

S

Odor

-

amine

Color

-

white to off-white

Boiling point

o

C

146

Freezing point

o

C

106

Refractive index at 113 C

-

1.446

Specific gravity

-

1.1

Specific gravity temperature

o

Vapor density

air=1

3

Vapor pressure

kPa

0.021

Vapor pressure temperature

o

Acid dissociation constant

-

pH

-

o

Solubility in water at 20 C o

C

20

C

mg kg

20 9.73 10.8-11.8 -1

1,000,000

HEALTH & SAFETY UN number

-

Autoignition temperature

o

2579

C

Flash point

o

C

Flash point method

-

COC

Explosion limit, lower

wt%

4

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

mg kg

320 65-107

14 -1

2,050-4,900

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620

Piperazine PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

6,200-22,350

Montreal protocol

-

N

Partition coefficient

logKow

-0.8 to -1.5

ECOLOGICAL PROPERTIES

USE & PERFORMANCE Recommended for products

medical solvent, corrosion inhibitor, paint additive, gas washer liquid

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

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Piperidine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Piperidine

CAS #

-

110-89-4

IUPAC name

piperidine

Common name

hexahydropyridine

Common synonym

pentamethyleneimine

Empirical formula

-

C5H11N

Formula

N H Molecular mass

daltons

85.15

RTECS number

-

TM3500000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

203-813-0

State

-

L

Odor

-

fishy, ammoniacal

Color

colorless to pale yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4520

Specific gravity

-

0.862

Specific gravity temperature

o

Vapor density

air=1

3.00

Vapor pressure

kPa

0.4

Vapor pressure temperature

o

Acceptor number

-

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Corrosivity

-

Y

Molar volume

cm3 mol-1

99.3

Coefficients of Antoine equation

coefficient A

3.98189

coefficient B

1239.577

PHYSICAL PROPERTIES

106.0 -9.0

C

25

C

20 9.2 -1

51.0 35.5

coefficient C

-67.622

Temperature range of Antoine equation

K

315.5 to 416.8

Viscosity

mPas (cP)

1.36

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Piperidine PARAMETER

UNIT

Viscosity temperature

o

VALUE

C

25

Solubility in water at 20 C

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

17.47

dD

17.3

dP

4.5

dH

8.2

-

5.90

Flammability

3

Health

2

o

Hansen solubility parameters, (MPa)

1/2

Relative permittivity

-4 o

miscible

C (K ) -1

-1

10.40

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

3

Health

2

Reactivity

0

UN risk phrases, R

R11,R23/24,R34

US safety phrases, S

S16,S26,S27,S45

UN number

-

UN/NA hazard class

3

UN packaging group

I

2401

DOT class

3, I

ICAO/IATA class, packaging group

UN 2401 PIPERIDINE, 8 (3), I

IMDG class, packaging group

UN 2401 PIPERIDINE, 8 (3), I

Proper shipping name

piperidine

Flash point

o

Flash point method

-

TCC

Explosion limit, lower

wt%

1.15

Explosion limit, upper

wt%

C

16

8.70

Animal testing, acute toxicity, Rat oral LD50

-1

mg kg

400

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

320

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

4,000/4H

Route of entry

Inh, Skin

Ingestion

Harmful if swallowed.

Skin irritation

MAY BE ABSORBED! Toxic in contact with skin. Causes skin burns.

Eye irritation

Causes eye damage.

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Piperidine PARAMETER

UNIT

VALUE

Inhalation

Toxic by inhalation

First aid: eyes

Flush eyes with a directed stream of water for at least 15 minutes. Contact physician.

First aid: skin

Take off contaminated clothing. Immediately rinse skin with plenty of soap and water for 15-20 minutes. Contact physician

First aid: inhalation

Move person to fresh air. Keep warm and rested. Give artificial respiration if not breathing. Consult a physician

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.67

USE & PERFORMANCE Recommended for products

Applications especially for synthesis of pharmaceuticals, agro chemicals and rubber chemicals.

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Pyridine PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Pyridine

CAS #

-

Common name

azine

Common synonym

azabenzene

Empirical formula

-

110-86-1

C5H5N

Formula

N Molecular mass

daltons

79.1

RTECS number

-

UR8400000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

203-809-9

Product contents

pyridine, approx 100 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.5100

Specific gravity

-

0.982

Specific gravity temperature

o

Vapor density

air=1

2.73

Vapor pressure

kPa

2.67

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

35.09

Enthalpy of vaporization temperature

K

388.4

Acceptor number

-

14.2

Donor number

kcal mol-1

33.1

Polarity parameter, ET(30)

kcal mol

40.5

115.0 -41.60

C

25

C

25

-1

Corrosivity

-

Y

Molar volume

cm3 mol-1

80.9

Coefficients of Antoine equation

coefficient A

4.16272

coefficient B

1371.358

coefficient C

-58.496

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Pyridine PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

340.4 to 426.0

pH

-

8.5

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

21.31

dD

19.0

dP

8.8

Hansen solubility parameters, (MPa)

1/2

0.88

C

25 -4 o

miscible

C (K ) -1

-1

dH

11.0

5.9

Henry’s law constant

atm/m -mol

Relative permittivity

-

12.50

Flammability

3

Health

3

Reactivity

0

3

-1

9.31E-06

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R20/21/22

US safety phrases, S

S2,S26,S28

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1282 PYRIDINE, 3, II

1282

TDG class

3, II

ICAO/IATA class, packaging group

UN 1282 PYRIDINE, 3, II

IMDG class, packaging group

UN 1282 PYRIDINE, 3, II

Proper shipping name

pyridine

Autoignition temperature

o

C

480

Flash point

o

C

18.8

Flash point method

-

TCC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

12.40

Threshold limiting value – TWA 8h, ACGIH

mg m

16

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

mg m-3

15

Threshold limiting value – TWA 8h, NIOSH

ppm

5

Threshold limiting value – TWA 8h, OSHA

mg m-3

15

Threshold limiting value – TWA 8h, OSHA

ppm

5

-3

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Pyridine PARAMETER

UNIT

VALUE

Maximum exposure concentration NIOSH-IDLH

ppm

1000

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

891

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

1,000-2,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Intraperitoneal, Ing, Skin, Intravenous, Subcutaneous

Ingestion

May cause gastrointestinal irritation with nausea, vomiting and diarrhea.

Skin irritation

May cause skin irritation. May be harmful if absorbed through the skin.

Eye irritation

Causes severe eye irritation and possible eye burns.

Inhalation

Inhalation of high concentrations may cause central nervous system effects characterized by nausea, headache, dizziness, unconsciousness and coma.

First aid: eyes

Flush eyes with a directed stream of water for at least 15 minutes. Contact physician.

First aid: skin

Wash immediately affected areas with water while removing contaminated clothing. Immediate medical attention required.

First aid: inhalation

Remove immediately the affected individual into fresh air and keep the person calm. Assist in breathing if necessary. Immediate medical attention required

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

1 -3

15 5

-1

4,900-6,000/4H

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.15

Biological oxygen demand, 20 days

g g-1

2.02

Theoretical oxygen demand

gg

2.52

Montreal protocol

-

N

Partition coefficient

logKow

0.65

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

627

Pyridine PARAMETER

UNIT

VALUE

USE & PERFORMANCE Manufacturer

Vertellus, Nantong Reilly Chemical Company Ltd.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

628

Pyrrolidinone, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Pyrrolidinone, 2-

CAS #

-

616-45-5

IUPAC name

pyrrolidin-2-one

Common name

butyrolactam

Common synonym

2-oxypirrolidine

Empirical formula

-

C4H7NO

Formula

O N H

Molecular mass

daltons

85.11

RTECS number

-

UY5715000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

210-483-1

Product contents

2-pyrrolidinone >99.5 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

amine-like

Color

-

colorless to yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.486

Specific gravity

-

1.1

Specific gravity temperature

o

Vapor density

air=1

2.9

Polarity parameter, ET(30)

kcal mol-1

47.9

Acid dissociation constant

-

14.7

Corrosivity

-

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

infinite

Coefficient of thermal expansion

10-4 oC-1 (K-1)

21.8

Hildebrand solubility parameter

(MPa)1/2

29.56

245-250 23-25

C

25

N 3

-1

C

76.8 13.3 25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

629

Pyrrolidinone, 2PARAMETER

UNIT

VALUE

Hansen solubility parameters, (MPa)1/2

dD

18.2

dP

12.0

dH

9.0

Flammability

1

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN/NA hazard class

not regulated

UN packaging group

not regulated

DOT class

not regulated

ICAO/IATA class, packaging group

not regulated

IMDG class, packaging group

not regulated

Autoignition temperature

o

C

390

Flash point

o

C

129

Flash point method

-

Explosion limit, upper

wt%

Animal testing, acute toxicity, Rat oral LD50

mg kg

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

OC 13.8 -1

6,500

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.16

Chemical oxygen demand

gg

-1

1.61

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

3

Montreal protocol

-

N

Partition coefficient

logKow

-0.85

1.97

USE & PERFORMANCE Recommended for products

Co-solvent in inkjet ink, Solvent to produce membrane filters for e.g. sterile filtration of drugs such as pharmaceutical proteins.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

630

Tetrahydrofuran PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Tetrahydrofuran

CAS #

-

109-99-9

IUPAC name

oxolane

Common name

1,4-epoxybutane

Common synonym

tetramethylene oxide

Acronym

-

THF

Empirical formula

-

C4H8O

Formula

O Molecular mass

daltons

72.12

RTECS number

-

LU5950000

Chemical category

-

heterocyclic

Mixture

-

N

EC number

-

203-726-8

Product contents

Tetrahydrofuran >99.5 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

ether-like

Odor threshold

ppm

2.0

Color

-

colorless

Boiling point

o

C

65.9

Freezing point

o

C

-109.0

Refractive index at 20 C

-

1.4100

Specific gravity

-

0.889

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

21.6

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

5.70

Enthalpy of vaporization

kJ mol-1

29.81

Enthalpy of vaporization temperature

K

339.1

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

o

C

20

C

25

8.0 20.0 37.4 -2.08

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

631

Tetrahydrofuran PARAMETER

UNIT

VALUE

Corrosivity

-

N

Molar volume

cm3 mol-1

81.9

Coefficients of Antoine equation

coefficient A

4.12118

coefficient B

1202.942

coefficient C

-46.818

Temperature range of Antoine equation

K

296.3 to 372.8

Viscosity

mPas (cP)

0.46

Viscosity temperature

o

C

25

Surface tension at 20 C

mN m

Solubility in water at 20oC

mg kg-1

Heat of combustion at 25 C

MJ kg

Specific heat at 25 C

kJ K mol

Thermal conductivity at 25oC

W m-1 K-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.8

dP

5.7

o

o

o

infinite 35.60

-1

-1

-4 o

26.40

-1

123.89

-1

0.1406

C (K ) -1

-1

12.10 20.25

1/2

dH

8.0

Henry’s law constant

atm/m -mol

Relative permittivity

-

7.58

Flammability

3

Health

2

Reactivity

1

3

-1

5.26E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R19,R36/37

US safety phrases, S

S16,S29,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 2056 TETRAHYDROFURAN, 3, II

IMDG class, packaging group

UN 2056 TETRAHYDROFURAN, 3, II

Proper shipping name

tetrahydrofuran

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

11.80

2056

321 -14.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

632

Tetrahydrofuran PARAMETER

UNIT

Threshold limiting value – TWA 8h, ACGIH

mg m-3

590

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, NIOSH

mg m-3

590

Threshold limiting value – TWA 8h, NIOSH

ppm

200

Threshold limiting value – TWA 8h, OSHA

mg m-3

590

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum exposure concentration NIOSH-IDLH

mg m-3

60,000

Maximum exposure concentration NIOSH-IDLH

ppm

2,000

Maximum concentration, any time, NIOSH

mg m

Maximum concentration, any time, NIOSH

ppm

200

Maximum concentration, any time, OSHA

mg m-3

590

Maximum concentration, any time, OSHA

ppm

200

Maximum concentration, 15 min., ACGIH

ppm

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

250

Maximum concentration, 15 min., OSHA

mg m-3

735

Maximum concentration, 15 min., OSHA

ppm

250

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,650

Animal testing, acute toxicity, Rat inhalation, LC50

mg m

21,000/3H

Route of entry

Inh, Con, Ing

Ingestion

Causes irritation to the gastrointestinal tract. Symptoms may include nausea, vomiting and diarrhea.

Skin irritation

Causes irritation to skin.

Eye irritation

Causes irritation, redness, and pain. Contact may cause permanent eye damage.

Inhalation

Causes irritation to the respiratory tract. Symptoms may include coughing, shortness of breath.

First aid: eyes

Rinse cautiously with water for several minutes. Remove contact lenses, if present. If irritation persists, get medical attention.

First aid: skin

Wash with plenty of soap and water. If irritation persists, get medical attention.

First aid: inhalation

Remove to fresh air. Respiratory support. Call for prompt medical attention.

Target organs

Eye,Skin,RspSys,CNS

-3

VALUE

590

50 -3

-3

735

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

633

Tetrahydrofuran PARAMETER

UNIT

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

VALUE

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

2.44

Bioconcentration factor

-

0.12

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.61E-11

Montreal protocol

-

N

Partition coefficient

logKow

0.46

Urban ozone formation potential

C2H4=1

0.49

Soil absorption constant

-

0.67

UV absorption

nm

99.0 wt%, 2-pyrrolidone 3,200

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

5,660

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

-1

Route of entry

Ing, Inh, Skin

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

4,000/4H

ECOLOGICAL PROPERTIES Bioconcentration factor

-

9.7

Montreal protocol

-

N

Partition coefficient

logKow

1.73-2.04

USE & PERFORMANCE Recommended for products

coatings, paints, flavoring agents

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

659

Ethyl butyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Ethyl butyl ketone

CAS #

-

106-35-4

IUPAC name

heptan-3-one

Common name

3-heptanone

Acronym

-

3HPONE

Empirical formula

-

C7H14O

Formula

CH3CH2C(CH2)3CH3 O

Molecular mass

daltons

114.21

RTECS number

-

MJ5250000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-388-1

Product contents

ethyl butyl ketone >=97.5 %

PHYSICAL PROPERTIES State

-

L

Odor

-

fatty

Color

-

colorless

Boiling point

o

C

147.0

Freezing point

o

C

-37.0

Refractive index at 20 C

-

1.4070

Specific gravity

-

0.820

Specific gravity temperature

o

Vapor density

air=1

3.93

Vapor pressure

kPa

0.55

Vapor pressure temperature

o

Corrosivity

-

N

Molar volume

cm3 mol-1

140.2

Viscosity

mPas (cP)

Viscosity temperature

o

Heat of combustion at 25oC

MJ kg-1

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.2

dP

5.0

dH

4.1

o

C

20

C

20

C

0.74 25

1/2

38.35 17.08

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

660

Ethyl butyl ketone PARAMETER

UNIT

VALUE

Flammability

2

Health

1

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

2

Health

1

Reactivity

1

UN risk phrases, R

R10,R20,R36,R36/37/38

US safety phrases, S

S24

UN number

-

UN/NA hazard class

3

1224

UN packaging group

III

DOT class

3, III

Proper shipping name

ketones liquid, n.o.s. (3-heptanone)

Autoignition temperature

o

C

390

Flash point

o

C

41.0

Explosion limit, lower

wt%

1.10

Explosion limit, upper

wt%

6.80

Threshold limiting value – TWA 8h, ACGIH

mg m-3

234

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m

230

Threshold limiting value – TWA 8h, OSHA

ppm

50

Maximum exposure concentration NIOSH-IDLH

ppm

1,000

Maximum concentration, any time, NIOSH

mg m-3

230

Maximum concentration, any time, NIOSH

ppm

50

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

50

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,760

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

2,000/4H

Route of entry

Ing, Inh, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

First aid: eyes

Irrigate immediately

First aid: skin

Water flush

-3

230

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

661

Ethyl butyl ketone PARAMETER

UNIT

VALUE

First aid: inhalation

Respiratory support. Remove to fresh air and seek medical attention.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.73

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

662

Isobutyl heptyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isobutyl heptyl ketone

CAS #

-

123-18-2

IUPAC name

2,6,8-trimethylnonan-4-one

Common name

2,6,8-trimethyl-4-nonanone

Common synonym

4-nonanone, 2,6,8-trimethyl

Acronym

-

IBHK

Empirical formula

-

C12H24O

Formula

CH3CHCH2CHCH2CCH2CHCH3 CH3

CH3

O

CH3

Molecular mass

daltons

184.32

Chemical category

-

ketone

Mixture

-

N

EC number

-

204-607-3

Product contents

isobutyl heptyl ketone >98%

PHYSICAL PROPERTIES State

-

L

Odor

-

pleasant

Color

-

colorless

Boiling point

o

Specific gravity

-

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.01

Molar volume

cm3 mol-1

224.1

Viscosity

mPas (cP)

1.4

Viscosity temperature

o

Corrosivity

-

Surface tension at 20oC

mN m-1

C

217.0 0.820

C

25 0.004

C

20

C

20 N 26.10

Heat of combustion at 25 C

MJ kg

Hansen solubility parameters, (MPa)1/2

dD

15.5

dP

3.5

dH

3.8

o

-1

41.51

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

663

Isobutyl heptyl ketone PARAMETER

UNIT

VALUE

Flammability

1

Health

1

Reactivity

1

HEALTH & SAFETY HMIS classification

UN/NA hazard class

not regulated

DOT class

not regulated

Flash point

o

Flash point method

-

Skin irritation

May cause slight skin irritation

Eye irritation

May cause slight eye irritation

Inhalation

Prolong exposure or exposure to heated vapors may cause respiratory irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

C

76.7 CC

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

3.96

USE & PERFORMANCE Recommended for products

Coatings and inks, cleaning, degreasing, fragrances

Features & benefits

low viscosity, strong solvency

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

664

Isophorone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Isophorone

CAS #

-

78-59-1

IUPAC name

3,5,5-trimethylcyclohex-2-en-1-one

Common name

isoacetophenone

Empirical formula

-

C9H14O

Formula

H3C O H3C CH3

Molecular mass

daltons

138.21

RTECS number

-

GW7700000

Chemical category

-

ketone

Mixture

-

N

EC number

-

201-126-0

-

L

PHYSICAL PROPERTIES State Odor

-

peppermint

Odor threshold

ppm

2.0

Color

-

colorless

Boiling point

o

C

215.2

Freezing point

o

C

-8.10

Refractive index at 20 C

-

1.4770

Specific gravity

-

0.929

Specific gravity temperature

o

Vapor density

air=1

4.80

Vapor pressure

kPa

0.01333

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.02

Corrosivity

-

N

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.42483

coefficient B

1985.971

o

C

20

C

20

3

-1

150.3

coefficient C

-39.054

K

311.0 to 488.3

Viscosity

mPas (cP)

2.632

Viscosity temperature

o

Temperature range of Antoine equation

C

20

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

665

Isophorone PARAMETER

UNIT

VALUE

Surface tension at 20oC

mN m-1

31.20

Solubility in water at 20 C

mg kg-1

14,600

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

7.83

Hansen solubility parameters, (MPa)1/2

dD

17.0

dP

8.0

o

o

39.02

-1

dH Henry’s law constant

5.0

atm/m -mol 3

6.55E-06

-1

HEALTH & SAFETY NFPA classification

Flammability

2

Health

2

Reactivity

0

UN risk phrases, R

R40,R21/22,R36/37

US safety phrases, S

S2,S13,S23,S36/37/39,S46

UN/NA hazard class

not regulated

DOT class

not regulated

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TCC

Explosion limit, lower

wt%

0.80

Explosion limit, upper

wt%

3.80

Threshold limiting value – TWA 8h, ACGIH

ppm

460 85.0

5

Threshold limiting value – TWA 8h, NIOSH

mg m

23

Threshold limiting value – TWA 8h, NIOSH

ppm

4

Threshold limiting value – TWA 8h, OSHA

mg m-3

140

Threshold limiting value – TWA 8h, OSHA

ppm

25

Maximum exposure concentration NIOSH-IDLH

ppm

Maximum concentration, any time, ACGIH

mg m

28

Maximum concentration, any time, ACGIH

ppm

5

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

1,500

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-3

200 -3

-1

1,840/4H

Route of entry

Ing, Inh, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

Causes serious eye irritation

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

666

Isophorone PARAMETER

UNIT

VALUE

Inhalation

May cause respiratory track irritation

First aid: eyes

Immediately flush eye(s) with plenty of water. Remove contact lenses. Protect unharmed eye. Keep eye wide open while rinsing. Contact ophthalmologist

First aid: skin

Flush skin with water until all chemical is removed. Remove clothing contaminated with liquid and wash before reuse. Get medical attention

First aid: inhalation

Remove victim to fresh air. If breathing stops provide artificial respiration. If breathing is difficult, give oxygen. Call medical attention

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biodegradation probability

95% readily biodegradable

Montreal protocol

-

N

Partition coefficient

logKow

1.70

USE & PERFORMANCE Manufacturer

Arkema, Dow Chemical Company, Merck Schuchardt OHG

Recommended for polymers

nitrocellulose

Recommended for products

coatings, fats, oils, lacquers, pesticides, herbicides, thinners, printing inks, adhesives, intermediate

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

667

Methyl amyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl amyl ketone

CAS #

-

110-43-0

IUPAC name

heptan-2-one

Common name

methyl pentyl ketone

Common synonym

1-methylhexanal-2-heptanone

Empirical formula

-

C7H14O

Formula

CH3(CH2)4CCH3 O

Molecular mass

daltons

114.21

RTECS number

-

MJ5075000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-767-1

Product contents

purity 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

banana, fruity

Odor threshold

ppm

0.350

Color

-

colorless

Boiling point

o

C

151.1

Freezing point

o

C

-35.0

Refractive index at 20 C

-

1.4100

Specific gravity

-

0.811

Specific gravity temperature

o

Vapor density

air=1

3.90

Vapor pressure

kPa

0.51

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.33

Enthalpy of vaporization

kJ mol-1

31.20

Enthalpy of vaporization temperature

K

298.2

Polarity parameter, ET(30)

kcal mol-1

41.1

Corrosivity

-

N

Molar volume

cm mol

o

C

25

C

25

3

-1

140.8

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

668

Methyl amyl ketone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

7.24794

coefficient B

3331.738

coefficient C

36.682

Temperature range of Antoine equation

K

292.4 to 423.3

Viscosity

mPas (cP)

0.815

Viscosity temperature

o

Surface tension at 20oC

mN m-1

26.17

Solubility in water at 20 C

mg kg

-1

4,300

Heat of combustion at 25 C

MJ kg

-1

38.35

Specific heat at 25oC

kJ K-1 mol-1

243.59

Coefficient of thermal expansion

10

10.60

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.2

dP

5.7

o

o

C

20

-4 o

C (K ) -1

-1

1/2

17.39

dH

4.1

Henry’s law constant

atm/m3-mol-1

1.77E-04

Relative permittivity

-

11.98

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/22

US safety phrases, S

S24/25

UN number

-

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1110 N-AMYL METHYL KETONE, 3, III

IMDG class, packaging group

UN 1110 N-AMYL METHYL KETONE, 3, III

Proper shipping name

n-amyl methyl ketone

Autoignition temperature

o

C

393

Flash point

o

C

39.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.00

Explosion limit, upper

wt%

5.50

Threshold limiting value – TWA 8h, ACGIH

mg m-3

233

1110

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

669

Methyl amyl ketone PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

465

Threshold limiting value – TWA 8h, NIOSH

ppm

100

Threshold limiting value – TWA 8h, OSHA

mg m-3

465

Threshold limiting value – TWA 8h, OSHA

ppm

100 19,000

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

Maximum concentration, any time, ACGIH

ppm

Maximum concentration, any time, NIOSH

mg m

Maximum concentration, any time, NIOSH

ppm

100

Maximum concentration, any time, OSHA

mg m-3

465

Maximum concentration, any time, OSHA

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

45,500

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

12,600

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-3

800 50 -3

-1

465

4,000/4H

Route of entry

Inh, Ing, Con

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation. Redness. Dry skin.

Eye irritation

Causes eye irritation. Redness

Inhalation

Causes respiratory irritation. Cough. Dizziness. Headache. Blurred Vision

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

First aid: inhalation

Keep at rest. Move to fresh air. Call a physician immediately

Target organs

Eye,Skin,RspSys,CNS,PNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

670

Methyl amyl ketone PARAMETER

UNIT

VALUE

Biological oxygen demand, 5 days

g g-1

1.23

Chemical oxygen demand

gg

-1

2.27

Theoretical oxygen demand

gg

-1

Bioconcentration factor

-

Biodegradation probability

-

Hydroxyl rate constant

cm molecule s

8.67E-12

Montreal protocol

-

N

ECOLOGICAL PROPERTIES

2.80 1.27 days-weeks

3

-1

-1

Partition coefficient

logKow

1.98

Urban ozone formation potential

C2H4=1

0.13

Soil absorption constant

-

1.38

USE & PERFORMANCE Recommended for products

High solids coatings, inks, industrial cleaning, process solvent (resin manufacture)

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

671

Methyl ethyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl ethyl ketone

CAS #

-

78-93-3

IUPAC name

butan-2-one

Common name

2-butanone

Acronym

-

MEK

Empirical formula

-

C4H8O

Formula

CH3CCH2CH3 O

Molecular mass

daltons

72.11

RTECS number

-

EL6475000

Chemical category

-

ketone

Mixture

-

N

EC number

-

201-159-0

Product contents

purity 99%

PHYSICAL PROPERTIES State

-

L

Odor

-

mint, acetone

Odor threshold

ppm

5.40

Color

colorless to light yellow

Boiling point

o

C

79.6

Freezing point

o

C

-86.0

Refractive index at 20 C

-

1.3780

Specific gravity

-

0.799

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

12.71

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

4.78

Enthalpy of vaporization

kJ mol-1

31.30

Enthalpy of vaporization temperature

K

352.8

Donor number

kcal mol-1

17.4

Polarity parameter, ET(30)

kcal mol

41.3

o

C

25

C

25

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

-1

14.70 N 3

-1

90.2

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

672

Methyl ethyl ketone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

3.9894

coefficient B

1150.207

coefficient C

-63.904

Temperature range of Antoine equation

K

314.5 to 370.5

Viscosity

mPas (cP)

0.378

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.60

Solubility in water at 20 C

mg kg

-1

223000

Heat of combustion at 25 C

MJ kg

-1

33.53

Specific heat at 25oC

kJ K-1 mol-1

158.91

Thermal conductivity at 25 C

Wm K

0.1498

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

19.02

dD

16.0

dP

9.0

o

o

o

Hansen solubility parameters, (MPa)

C

25

-1

1/2

-4 o

-1

C (K ) -1

-1

dH

13.20

5.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

18.51

Flammability

3

Health

1

Reactivity

0

3

-1

5.59E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R36,R66,R67

US safety phrases, S

S2,S9,S16

UN number

-

1193

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1193 ETHYL METHYL KETONE, 3, II

IMDG class, packaging group

UN 1193 ETHYL METHYL KETONE, 3, II

Proper shipping name

ethyl methyl ketone

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TCC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

11.50

404 -9.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

673

Methyl ethyl ketone PARAMETER

UNIT

Threshold limiting value – TWA 8h, ACGIH

mg m-3

590

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, NIOSH

mg m-3

590

Threshold limiting value – TWA 8h, NIOSH

ppm

200

Threshold limiting value – TWA 8h, OSHA

mg m-3

590

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum exposure concentration NIOSH-IDLH

mg m-3

9,000

Maximum exposure concentration NIOSH-IDLH

ppm

3,000

Maximum concentration, any time, OSHA

ppm

200

Maximum concentration, 15 min., ACGIH

mg m-3

885

Maximum concentration, 15 min., ACGIH

ppm

300

Maximum concentration, 15 min., NIOSH

mg m

Maximum concentration, 15 min., NIOSH

ppm

300

Maximum concentration, 15 min., OSHA

mg m-3

885

Maximum concentration, 15 min., OSHA

ppm

300

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,737

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

6,480

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing, Con

Skin irritation

Repeated exposure may cause skin dryness or cracking.

Eye irritation

May cause eye irritation.

Inhalation

Vapors may cause drowsiness and dizziness.

Target organs

CNS,Lung

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

-3

-1

VALUE

885

100/5M

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

2.03

Biological oxygen demand, 20 days

gg

-1

1.92

Chemical oxygen demand

gg

-1

2.31

Theoretical oxygen demand

g g-1

2.44

Bioconcentration factor

-

0

Biodegradation probability

-

days-weeks

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

674

Methyl ethyl ketone PARAMETER

UNIT

VALUE

Hydroxyl rate constant

cm3 molecule-1 s-1

1.15E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.29

Urban ozone formation potential

C2H4=1

0.04

Soil absorption constant

-

0.72

UV absorption

nm

278

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

675

Methyl hexyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl hexyl ketone

CAS #

-

111-13-7

IUPAC name

octan-2-one

Common name

2-octanone

Common synonym

hexyl methyl ketone

Empirical formula

-

Formula

C8H16O

CH3C(CH2)5CH3 O

Molecular mass

daltons

128.22

RTECS number

-

RH1484000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-837-1

State

-

L

Odor

-

apple

Odor threshold

ppm

248.0

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.4160

Specific gravity

-

0.815

Specific gravity temperature

o

Vapor density

air=1

4.40

Vapor pressure

kPa

0.18

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.12

Corrosivity

-

N

Molar volume

cm3 mol-1

156.4

Coefficients of Antoine equation

coefficient A

4.9448

PHYSICAL PROPERTIES

Temperature range of Antoine equation

C

C

173.0 -16.0

25

25

coefficient B

2004.031

coefficient C

-40.324

K

296.7 to 446.0

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

C

0.95 25 26.60

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

676

Methyl hexyl ketone PARAMETER

UNIT

VALUE

Solubility in water at 20oC

mg kg-1

900

Heat of combustion at 25 C

MJ kg-1

Coefficient of thermal expansion

10

Hansen solubility parameters, (MPa)1/2

dD

16.1

dP

4.7

o

Henry’s law constant

-4 o

39.26

C (K ) -1

-1

9.93

dH

4.0

atm/m3-mol-1

1.88E-04

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R21

US safety phrases, S

S23,S36/37

UN number

-

1993

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (2-OCTANONE), 3, III

IMDG class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (2-OCTANONE), 3, III

Proper shipping name

flammable liquid, n.o.s. (2-octanone)

Flash point

o

Flash point method

-

CC

Explosion limit, lower

wt%

1.00

Explosion limit, upper

wt%

6.10

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,089

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,337

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

2,132/6H

C

62.8

Route of entry

Skin, Eye

Ingestion

May cause irritation of the digestive tract.

Skin irritation

Harmful in contact with skin. May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

May cause respiratory tract irritation

Carcinogenicity IARC

N

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

677

Methyl hexyl ketone PARAMETER

UNIT

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

2.37

USE & PERFORMANCE Recommended for products

In perfumes, high-boiling solvent, especially for epoxy resin coatings, leather finishes,flavoring, odorant, anti-blushing agent for nitrocellulose lacquers

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

678

Methyl isoamyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl isoamyl ketone

CAS #

-

110-12-3

IUPAC name

5-methylhexan-2-one

Common name

5-methyl-2-hexanone

Common synonym

isoamyl methyl ketone

Acronym

-

MIAK

Empirical formula

-

C7H14O

Formula

CH3CHCH2CH2CCH3 CH3

O

Molecular mass

daltons

114.21

RTECS number

-

MP3850000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-737-8

Product contents

purity >98.5 wt %

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Odor threshold

ppm

0.012

Color

-

colorless

Boiling point

o

C

145.0

Freezing point

o

C

-74.0

Refractive index at 20 C o

-

1.4070

Specific gravity

-

Specific gravity temperature

o

0.813

Vapor density

air=1

3.90

Vapor pressure

kPa

0.59

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.50

Evaporation rate

ether=1

24.2

Enthalpy of vaporization

kJ mol-1

38.50

Enthalpy of vaporization temperature

K

bp

Corrosivity

-

Molar volume

cm mol

Viscosity

mPas (cP)

C

20

C

20

N 3

-1

141.3 0.7

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

679

Methyl isoamyl ketone PARAMETER

UNIT

VALUE

Viscosity temperature

o

Surface tension at 20 C

mN m-1

25.80

Solubility in water at 20 C

mg kg

5,000

Heat of combustion at 25oC

MJ kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

5.7

o

o

Henry’s law constant

C

25

-4 o

-1

38.35

C (K ) -1

-1

1/2

10.50 17.18

dH

4.1

atm/m3-mol-1

1.54E-04

Flammability

2

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20

US safety phrases, S

S2,S23,S24/25

UN number

-

2302

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 2302 5-METHYLHEXAN-2-ONE, 3, III

IMDG class, packaging group

UN 2302 5-METHYLHEXAN-2-ONE, 3, III

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

TCC

Explosion limit, lower

wt%

1.05

Explosion limit, upper

wt%

8.20

Threshold limiting value – TWA 8h, ACGIH

mg m-3

234

Threshold limiting value – TWA 8h, ACGIH

ppm

50

424 36.0

Threshold limiting value – TWA 8h, NIOSH

mg m

240

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m-3

475

Threshold limiting value – TWA 8h, OSHA

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,200

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

10,000

-3

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

680

Methyl isoamyl ketone PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

4,000/4H

Route of entry

Inh, Con, Ing

Ingestion

May cause nausea.

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Cough. Headache. Dizziness. Drowsiness. Labored breathing.

Target organs

CNS,RspSys,Eye,Lvr,Kdny,Stmch

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

2.80

Bioconcentration factor

-

1.08

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

8.42E-12

Montreal protocol

-

N

Partition coefficient

logKow

1.88

Urban ozone formation potential

C2H4=1

0.13

Soil absorption constant

-

1.30

USE & PERFORMANCE Recommended for polymers

Acrylic resins

Recommended for products

Coatings,thinners and purge solvents, polymerization solvent, antiozonants for rubber compounds

Features & benefits

Excellent solvent activity, low density and surface tension

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

681

Methyl isobutyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl isobutyl ketone

CAS #

-

108-10-1

IUPAC name

4-methylpentan-2-one

Common name

hexone

Common synonym

4-methyl-2-pentanone

Acronym

-

MIBK

Empirical formula

-

C6H12O

Formula

CH3CHCH2CCH3 CH3

O

Molecular mass

daltons

100.18

RTECS number

-

SA9275000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-550-1

-

L

PHYSICAL PROPERTIES State Odor

-

pleasant

Odor threshold

ppm

0.68

Color

-

clear, colorless

Boiling point

o

C

116.1

Freezing point

o

C

-84.0

Refractive index at 20 C o

-

1.3940

Specific gravity

-

Specific gravity temperature

o

0.801

Vapor density

air=1

3.50

Vapor pressure

kPa

2.65

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.62

Enthalpy of vaporization

kJ mol-1

40.61

Enthalpy of vaporization temperature

K

C

20

C

25

388.9

Donor number

kcal mol

-1

16.0

Polarity parameter, ET(30)

kcal mol-1

39.4

Corrosivity

-

N

Molar volume

cm mol 3

-1

125.8

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

682

Methyl isobutyl ketone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

3.95298

coefficient B

1254.095

coefficient C

-71.537

Temperature range of Antoine equation

K

294.8 to 389.3

Viscosity

mPas (cP)

0.585

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.00

Solubility in water at 20 C

mg kg

-1

14,000

Heat of combustion at 25 C

MJ kg

-1

37.20

Specific heat at 25oC

kJ K-1 mol-1

215.81

Coefficient of thermal expansion

10

11.50

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

6.1

o

o

C

20

-4 o

C (K ) -1

-1

1/2

17.18

dH

4.1

Henry’s law constant

atm/m3-mol-1

1.38E-04

Relative permittivity

-

13.11

Flammability

3

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

0

Flammability

3

Health

1

Reactivity

0

R11,R20,R36/37,R66

US safety phrases, S

S2,S9,S16,S29

UN number

-

UN/NA hazard class

3

UN packaging group

II

ICAO/IATA class, packaging group

UN 1245 METHYL ISOBUTYL KETONE, 3, II

IMDG class, packaging group

UN 1245 METHYL ISOBUTYL KETONE, 3, II

Proper shipping name

methyl isobutyl ketone

Autoignition temperature

o

C

448

Flash point

o

C

15.0

Flash point method

-

SCC

Explosion limit, lower

wt%

1.20

1245

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

683

Methyl isobutyl ketone PARAMETER

UNIT

VALUE

Explosion limit, upper

wt%

8.00

Threshold limiting value – TWA 8h, ACGIH

mg m-3

205

Threshold limiting value – TWA 8h, ACGIH

ppm

50

Threshold limiting value – TWA 8h, NIOSH

mg m-3

205

Threshold limiting value – TWA 8h, NIOSH

ppm

50

Threshold limiting value – TWA 8h, OSHA

mg m

410

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

mg m-3

12,510

Maximum exposure concentration NIOSH-IDLH

ppm

400

Maximum concentration, any time, NIOSH

mg m-3

205

Maximum concentration, any time, NIOSH

ppm

50

Maximum concentration, 15 min., ACGIH

mg m

Maximum concentration, 15 min., ACGIH

ppm

75

Maximum concentration, 15 min., NIOSH

mg m-3

300

Maximum concentration, 15 min., NIOSH

ppm

75

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,080

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Route of entry

Inh, Ing, Con

Ingestion

Ingestion may cause abdominal pain.

Skin irritation

May cause skin irritation. Repeated exposure may cause skin dryness or cracking

Eye irritation

Causes eye irritation.

Inhalation

May cause respiratory tract irritation. Cough. Diarrhea. Dizziness. Headache.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician immediately

Target organs

RspSys,Eye,Skin,CNS

Carcinogenicity IARC

N

-3

-3

-1

307

3,000/6H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

684

Methyl isobutyl ketone PARAMETER

UNIT

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

VALUE

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.67

Biological oxygen demand, 20 days

gg

-1

1.55

Chemical oxygen demand

gg

-1

2.16

Theoretical oxygen demand

g g-1

2.72

Bioconcentration factor

-

0.38

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

1.41E-11

Montreal protocol

-

N

Partition coefficient

logKow

1.31

Urban ozone formation potential

C2H4=1

0.18

Soil absorption constant

-

1.28

UV absorption

nm

283 (cyclohexane)

USE & PERFORMANCE Recommended for polymers

Acrylic, vinyl-acrylic resins

Recommended for products

Solvent for high solids coatings, automotive coatings, marine coatings, traffic paints, solvent for acrylic adhesives

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

685

Methyl isopropyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl isopropyl ketone

CAS #

-

563-80-4

IUPAC name

3-methylbutan-2-one

Common name

3-methyl-2-butanone

Common synonym

isopropyl methyl ketone

Acronym

-

MIPK

Empirical formula

-

C5H10O

Formula

O CH3CHCCH3 CH3

Molecular mass

daltons

86.15

RTECS number

-

EL9100000

Chemical category

-

ketone

Mixture

-

N

EC number

-

209-264-3

Product contents

Typical purity >99%

PHYSICAL PROPERTIES State

-

L

Odor

-

sweet ketone

Odor threshold

ppm

1.90

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

0.804

Specific gravity

-

20

Specific gravity temperature

o

Vapor density

air=1

Vapor pressure

kPa

25

Evaporation rate

butyl acetate=1

2.90

Enthalpy of vaporization

kJ mol-1

32.35

Enthalpy of vaporization temperature

K

367.4

Donor number

kcal mol-1

17.1

Polarity parameter, ET(30)

kcal mol

40.9

94.0 1.3880

C

3.00

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

7.028

-1

21.0 N 3

-1

107.4

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

686

Methyl isopropyl ketone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

5.62559

coefficient B

1806.925

coefficient C

-40.618

Temperature range of Antoine equation

K

253.2 to 362.0

Viscosity

mPas (cP)

0.454

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.61

Solubility in water at 20 C

mg kg

66,000

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

12.0

Hildebrand solubility parameter

(MPa)1/2

17.57

dD

15.8

dP

6.8

o

o

Hansen solubility parameters, (MPa)

1/2

C

25 -1

35.66

-1

dH Henry’s law constant

5.0

atm/m -mol 3

-1

1.13E-04

HEALTH & SAFETY HMIS classification

UN risk phrases, R

Flammability

3

Health

2

Reactivity

0

R11

US safety phrases, S

S9,S16,S33,S2

UN number

-

2397

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 2397 3-methylbutan-2-one, 3, II

ICAO/IATA class, packaging group

UN 2397 3-METHYLBUTAN-2-ONE, 3, II

IMDG class, packaging group

UN 2397 3-METHYLBUTAN-2-ONE, 3, II

Proper shipping name

3-methylbutan-2-one

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

Explosion limit, upper

wt%

448 2.0 SCC 8.20

Threshold limiting value – TWA 8h, ACGIH

mg m

705

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, NIOSH

mg m-3

705

Threshold limiting value – TWA 8h, NIOSH

ppm

200

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

687

Methyl isopropyl ketone PARAMETER

UNIT

Threshold limiting value – TWA 8h, OSHA

mg m-3

705

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum concentration, any time, ACGIH

ppm

20

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

3,078

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

6,350

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

VALUE

6,377/6H

Route of entry

Inh, Ing

Ingestion

Ingestion may cause nausea & vomiting.

Skin irritation

MAY BE ABSORBED!

Eye irritation

May cause eye irritation.

Inhalation

Harmful if inhaled. Inhalation produces burning sensation &. Cough

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician immediately

Target organs

CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.67

Bioconcentration factor

-

0.20

Biodegradation probability

85.1% 28 days ready biodegradability

Hydroxyl rate constant

cm3 molecule-1 s-1

2.77E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.84

Urban ozone formation potential

C2H4=1

0.07

Soil absorption constant

-

0.78

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

688

Methyl isopropyl ketone PARAMETER

UNIT

VALUE

USE & PERFORMANCE Recommended for polymers

Nitrocellulose

Recommended for products

Solvent for nitrocellulose lacquers

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

689

Methyl n-butyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl n-butyl ketone

CAS #

-

591-78-6

IUPAC name

hexan-2-one

Common name

2-hexanone

Common synonym

propylacetone

Acronym

-

MnBK

Empirical formula

-

C6H12O

Formula

CH3C(CH2)3CH3 O

Molecular mass

daltons

100.18

RTECS number

-

MP1400000

Chemical category

-

ketone

Mixture

-

N

EC number

-

209-731-1

PHYSICAL PROPERTIES State

-

L

Odor

-

acetone-like

Odor threshold

ppm

3.00

Color

-

colorless to yellow

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.40

Specific gravity

-

0.810

Specific gravity temperature

o

Vapor density

air=1

3.50

Vapor pressure

kPa

1.546

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.00

Enthalpy of vaporization

kJ mol-1

43.10

Enthalpy of vaporization temperature

K

400.7

Acid dissociation constant

-

-8.30

Corrosivity

-

N

Molar volume

cm3 mol-1

124.1

Coefficients of Antoine equation

coefficient A

5.66715

C

C

127.6 -57.0

25

25

coefficient B

2011.668

coefficient C

-45.364

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

690

Methyl n-butyl ketone PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

280.8 to 400.6

Viscosity

mPas (cP)

0.584

Viscosity temperature

o

Surface tension at 20oC

mN m-1

25.50

Solubility in water at 20 C

mg kg

-1

17,500

Heat of combustion at 25 C

MJ kg

-1

37.20

Specific heat at 25oC

kJ K-1 mol-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

6.1

o

o

C

25

-4 o

C (K ) -1

-1

1/2

213.38 11.20 17.59

dH

4.1

Henry’s law constant

atm/m3-mol-1

1.16E-04

Relative permittivity

-

14.56

Flammability

3

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Reactivity

2

Flammability

3

Health

2

Reactivity

2

R10,R62,R48/23,R67

US safety phrases, S

S1/2,S36/37,S45

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

UN 1224, ketones, liquid, n.o.s. (2-hexanone) 3, II

ICAO/IATA class, packaging group

UN 1224 KETONES, LIQUID, N.O.S. (2-HEXANONE) 3, II

IMDG class, packaging group

UN 1224 KETONES, LIQUID, N.O.S. (2-HEXANONE) 3, II

Proper shipping name

ketones, liquid, n.o.s. (2-hexanone)

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.20

Explosion limit, upper

wt%

8.00

1224

423 23.0

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

691

Methyl n-butyl ketone PARAMETER

UNIT

Threshold limiting value – TWA 8h, ACGIH

mg m-3

20

Threshold limiting value – TWA 8h, ACGIH

ppm

5

Threshold limiting value – TWA 8h, NIOSH

mg m-3

4

Threshold limiting value – TWA 8h, NIOSH

ppm

1

Threshold limiting value – TWA 8h, OSHA

mg m-3

410

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

mg m-3

20,850

Maximum exposure concentration NIOSH-IDLH

ppm

1,600

Maximum concentration, any time, ACGIH

ppm

5

Maximum concentration, any time, NIOSH

mg m-3

4

Maximum concentration, any time, NIOSH

ppm

1

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

Maximum concentration, 15 min., ACGIH

ppm

-3

VALUE

410 100 10

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

2,590

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

4,800

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8,000/4H

Route of entry

Inh, Abs, Ing, Con

Ingestion

Ingestion may cause abdominal pain.

Skin irritation

Causes mild skin irritation. MAY BE ABSORBED!

Eye irritation

May cause eye irritation.

Inhalation

May be harmful if inhaled. Cough. Headache. Nausea.

First aid: eyes

Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid

First aid: skin

Wash off immediately with soap and plenty of water removing all contaminated clothes and shoes . If symptoms persist call a physician

First aid: inhalation

Move person to fresh air. Give artificial respiration if not breathing. Call a physician immediately

Target organs

CNS,Skin,RspSys,Lvr,Kdny

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

692

Methyl n-butyl ketone PARAMETER

UNIT

Carcinogenicity OSHA

N

Mutagenic properties

N

VALUE

ECOLOGICAL PROPERTIES Theoretical oxygen demand

g g-1

1.76

Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

428

Bioconcentration factor

-

0.82

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

9.10E-12

Montreal protocol

-

N

Partition coefficient

logKow

1.38

Urban ozone formation potential

C2H4=1

0.15

Soil absorption constant

-

1.11

USE & PERFORMANCE Recommended for products

Ketonic solvent used in paints, lacquers, ink thinners, nitrocellulose, glues, resins, oils, fats, and waxes

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

693

Methyl propyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl propyl ketone

CAS #

-

107-87-9

IUPAC name

pentan-2-one

Common name

2-pentanone

Acronym

-

MPK

Empirical formula

-

C5H10O

Formula

CH3C(CH2)2CH3 O

Molecular mass

daltons

86.15

RTECS number

-

SA8750000

Chemical category

-

ketone

Mixture

-

N

EC number

-

203-528-1

PHYSICAL PROPERTIES State

-

L

Odor

-

acetone-like

Odor threshold

ppm

11.0

Color

-

colorless

Boiling point

o

C

102.0

Freezing point

o

C

-78.0

Refractive index at 20 C

-

1.3890

Specific gravity

-

0.802

Specific gravity temperature

o

Vapor density

air=1

3.00

Vapor pressure

kPa

4.72

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

2.40

Enthalpy of vaporization

kJ mol-1

33.44

Enthalpy of vaporization temperature

K

375.4

Polarity parameter, ET(30)

kcal mol-1

41.1

Acid dissociation constant

-

20.50

Corrosivity

-

N

Molar volume

cm3 mol-1

107.3

o

C

C

25

25

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

694

Methyl propyl ketone PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.14243

coefficient B

1311.145

coefficient C

-58.457

Temperature range of Antoine equation

K

329.8 to 384.8

Viscosity

mPas (cP)

0.489

Viscosity temperature

o

Surface tension at 20oC

mN m-1

33.87

Solubility in water at 20 C

mg kg

-1

43000

Heat of combustion at 25 C

MJ kg

-1

35.66

Specific heat at 25oC

kJ K-1 mol-1

184.35

Coefficient of thermal expansion

10

12.90

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

7.6

o

o

C

20

-4 o

C (K ) -1

-1

1/2

18.20

dH

4.7

Henry’s law constant

atm/m3-mol-1

6.36E-05

Relative permittivity

-

13.60

Flammability

3

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11

US safety phrases, S

S9,S16,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

UN 1249 METHYL PROPYL KETONE, 3, II

IMDG class, packaging group

UN 1249 METHYL PROPYL KETONE, 3, II

Proper shipping name

methyl propyl ketone

Autoignition temperature

o

C

452

Flash point

o

C

7.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.50

Explosion limit, upper

wt%

8.20

Threshold limiting value – TWA 8h, ACGIH

mg m-3

705

1249

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

695

Methyl propyl ketone PARAMETER

UNIT

VALUE

Threshold limiting value – TWA 8h, ACGIH

ppm

200

Threshold limiting value – TWA 8h, NIOSH

mg m-3

530

Threshold limiting value – TWA 8h, NIOSH

ppm

150

Threshold limiting value – TWA 8h, OSHA

mg m-3

700

Threshold limiting value – TWA 8h, OSHA

ppm

200 17,900

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

5,000

Maximum concentration, 15 min., ACGIH

mg m-3

881

Maximum concentration, 15 min., ACGIH

ppm

250

Maximum concentration, 15 min., OSHA

mg m-3

875

Maximum concentration, 15 min., OSHA

ppm

250

-3

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

1,600

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

6,500

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

2,000/4H

Route of entry

Inh, Ing, Con

Ingestion

Ingestion may cause abdominal pain.

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Cough. Dizziness. Dullness. Headache.

Target organs

RspSys,Eye,Skin,CNS

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

Mutagenic properties

N

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

1.18

Chemical oxygen demand

gg

-1

2.31

Theoretical oxygen demand

g g-1

2.60

Bioconcentration factor

-

0.46

Biodegradation probability

-

days-weeks

Hydroxyl rate constant

cm3 molecule-1 s-1

4.90E-12

Montreal protocol

-

N

Partition coefficient

logKow

0.91

Urban ozone formation potential

C2H4=1

0.11

Soil absorption constant

-

0.85

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

696

Methyl propyl ketone PARAMETER

UNIT

VALUE

USE & PERFORMANCE Recommended for products

Coatings: automotive, can and oil, marine, industrial, wood.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

697

Methyl tert-butyl ketone PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Methyl tert-butyl ketone

CAS #

-

75-97-8

IUPAC name

3,3-dimethylbutan-2-one

Common name

3,3-dimethyl-2-butanone

Common synonym

pinacolone

Empirical formula

-

C6H12O

Formula

H3C H3C

CCCH3 O

Molecular mass

daltons

100.16

RTECS number

-

EL7700000

Chemical category

-

ketone

Mixture

-

N

EC number

-

200-920-4

PHYSICAL PROPERTIES State

-

L

Odor

-

camphoraceous

Color

-

106.0

Boiling point

o

C

-52.0

Freezing point

o

C

1.3950

Specific gravity

-

0.801

Vapor pressure

kPa

4.27

Vapor pressure temperature

o

C

25 50.78

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Donor number

kcal mol-1

17.0

Polarity parameter, ET(30)

kcal mol

39.0

Molar volume

cm3 mol-1

125.1

Viscosity

mPas (cP)

0.71

Viscosity temperature

o

Corrosivity

-

Heat of combustion at 25oC

MJ kg-1

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.2

dP

5.7

dH

5.3

-1

441.4

C

-1

25 N 1/2

37.2 17.08

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

698

Methyl tert-butyl ketone PARAMETER

UNIT

VALUE

Relative permittivity

-

12.40

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R22

US safety phrases, S

S9,S16,S23,S36,S60

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

1993

TDG class

3, II

ICAO/IATA class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (3,3-DIMETHYL-2-BUTANONE), 3, II

IMDG class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (3,3-DIMETHYL-2-BUTANONE), 3, II

Proper shipping name

flammable liquid, n.o.s.

Autoignition temperature

o

C

Flash point

o

C

Animal testing, acute toxicity, Rat oral LD50

mg kg

461 12.0 -1

610

Route of entry

Inh

Ingestion

May cause irritation of the digestive tract.

Skin irritation

May cause skin irritation

Eye irritation

May cause eye irritation

Inhalation

May cause respiratory tract irritation. Vapors may cause dizziness or suffocation.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.20

USE & PERFORMANCE Recommended for products

Fungicides and herbicides

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

699

Pentanone, 3PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Pentanone, 3-

CAS #

-

96-22-0

IUPAC name

pentan-3-one

Common name

diethyl ketone

Common synonym

3-pentanone

Empirical formula

-

C5H10O

Formula

CH3CH2CCH2CH3 O

Molecular mass

daltons

86.13

RTECS number

-

SA8050000

Chemical category

-

ketone

Mixture

-

N

EC number

-

202-490-3

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

102

Freezing point

o

C

-42

Refractive index at 20 C o

-

1.3920

Specific gravity

-

Specific gravity temperature

o

0.810

Vapor density

air=1

3.00

Vapor pressure

kPa

3.75

Vapor pressure temperature

o

C

25

C

20 33.45

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

Donor number

kcal mol

Polarity parameter, ET(30)

kcal mol-1

39.3

Acid dissociation constant

-

19.00

Corrosivity

-

N

Molar volume

cm3 mol-1

106.4

Coefficients of Antoine equation

coefficient A

2.86542

-1

375.2 22.2 -1

15

coefficient B

716.17

coefficient C

-125.978

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

700

Pentanone, 3PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

309.5 to 374.8

Viscosity

mPas (cP)

0.47

Viscosity temperature

o

Surface tension at 20oC

mN m-1

24.70

Heat of combustion at 25 C

MJ kg

35.66

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.8

dP

7.6

o

C

20 -1 1/2

17.67

dH

4.7

Henry’s law constant

atm/m3-mol-1

1.20E-04

Relative permittivity

-

15.40

Flammability

3

Health

1

Reactivity

0

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R11,R37,R66,R67

US safety phrases, S

S9,S16,S25,S33

UN number

-

UN/NA hazard class

3

UN packaging group

II

1156

DOT class

3, II

ICAO/IATA class, packaging group

UN 1156 DIETHYL KETONE, 3, II

IMDG class, packaging group

UN 1156 DIETHYL KETONE, 3, II

Proper shipping name

diethyl ketone

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

OC

Explosion limit, lower

wt%

1.60

Explosion limit, upper

wt%

3.00

Threshold limiting value – TWA 8h, ACGIH

mg m-3

705

Threshold limiting value – TWA 8h, ACGIH

ppm

200

452 13.0

Threshold limiting value – TWA 8h, NIOSH

mg m

705

Threshold limiting value – TWA 8h, NIOSH

ppm

200

Threshold limiting value – TWA 8h, OSHA

mg m-3

705

Threshold limiting value – TWA 8h, OSHA

ppm

200

Maximum concentration, any time, ACGIH

ppm

200

Maximum concentration, 15 min., ACGIH

ppm

300

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

701

Pentanone, 3PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

2,100

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

20,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

8,000/4H

Route of entry

Inh, Skin

Ingestion

May be harmful if swallowed.

Skin irritation

Repeated exposure may cause skin dryness or cracking.

Eye irritation

May cause eye irritation.

Inhalation

Inhalation of vapors may cause drowsiness and dizziness.

First aid: eyes

Rinse eyes immediately with large amounts of water for at least 15 minutes, occasionally lifting the eyelids

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.99

USE & PERFORMANCE Recommended for products

Solvent for paints and as a starting material for organic synthesis

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

702

3.16 Nitriles Acetonitrile PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Acetonitrile

CAS #

-

75-05-8

IUPAC name

acetonitrile

Common name

cyanomethane

Common synonym

ethanenitrile

Empirical formula

-

C2H3N

Formula

CH3C N

Molecular mass

daltons

41.06

RTECS number

-

AL7700000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

218-616-5

State

-

L

Odor

-

aromatic

Odor threshold

ppm

70.0

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.3440

Specific gravity

-

0.782

Specific gravity temperature

o

Vapor density

air=1

1.40

Vapor pressure

kPa

9.6

Vapor pressure temperature

o

C

20

Evaporation rate

butyl acetate=1

PHYSICAL PROPERTIES

81.6 -45.0

C

20

Enthalpy of vaporization

kJ mol

Enthalpy of vaporization temperature

K

Acceptor number

-

2.30 33.20

-1

298.2 18.9

Donor number

kcal mol

-1

14.1

Polarity parameter, ET(30)

kcal mol-1

45.6

Corrosivity

-

N

Molar volume

cm mol 3

-1

52.9

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

703

3.16 Nitriles Acetonitrile PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.27873

coefficient B

1355.374

coefficient C

-37.853

Temperature range of Antoine equation

K

288.2 to 362.3

Viscosity

mPas (cP)

0.358

Viscosity temperature

o

Surface tension at 20oC

mN m-1

29.40

Solubility in water at 20 C

mg kg

-1

miscible

Heat of combustion at 25 C

MJ kg

-1

30.38

Specific heat at 25oC

kJ K-1 mol-1

226.5

Coefficient of thermal expansion

10

13.50

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

15.3

dP

18.0

o

o

C

20

-4 o

C (K ) -1

-1

1/2

23.67

dH

6.1

Henry’s law constant

atm/m3-mol-1

2.00E-05

Relative permittivity

-

37.50

Flammability

3

Health

2

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

3

Health

2

Reactivity

0

UN risk phrases, R

R11,R20/21/22,R36/37/38,R10,R23/24/2 5,R41,R24,R20/22

US safety phrases, S

S16,S36/37,S45;S36/37/39,S27,26,36

UN number

-

1648

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II Acetonitrile

ICAO/IATA class, packaging group

3, II Acetonitrile

IMDG class, packaging group

3, II Acetonitrile

Proper shipping name

Highly Flammable Liquids, acetonitrile

Autoignition temperature

o

C

524

Flash point

o

C

6.0

Flash point method

-

CC

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

704

3.16 Nitriles Acetonitrile PARAMETER

UNIT

VALUE

Explosion limit, lower

wt%

3.00

Explosion limit, upper

wt%

16.00

Threshold limiting value – TWA 8h, ACGIH

mg m

67

Threshold limiting value – TWA 8h, ACGIH

ppm

20

Threshold limiting value – TWA 8h, NIOSH

mg m-3

34

Threshold limiting value – TWA 8h, NIOSH

ppm

20

Threshold limiting value – TWA 8h, OSHA

mg m-3

70

Threshold limiting value – TWA 8h, OSHA

ppm

40

-3

840

Maximum exposure concentration NIOSH-IDLH

mg m

Maximum exposure concentration NIOSH-IDLH

ppm

500

Maximum concentration, any time, ACGIH

mg m-3

67

Maximum concentration, any time, ACGIH

ppm

40

Maximum concentration, any time, NIOSH

mg m-3

34

Maximum concentration, any time, NIOSH

ppm

20

Maximum concentration, any time, OSHA

mg m

Maximum concentration, any time, OSHA

ppm

Maximum concentration, 15 min., ACGIH

mg m-3

101

Maximum concentration, 15 min., ACGIH

ppm

60

Maximum concentration, 15 min., OSHA

ppm

-3

70

-3

40

60

Animal testing, acute toxicity, Rat oral LD50

mg kg

-1

175

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

269

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

369

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

-1

7,500/8H

Route of entry

Inh, Ing, Skin, Eye

Ingestion

Harmful if swallowed

Skin irritation

Causes skin irritation

Eye irritation

May cause severe eye irritation

Inhalation

Harmful if inhaled

First aid: eyes

Immediately flush with plenty of water

First aid: skin

Immediately flush skin with water

First aid: inhalation

Remove to fresh air. If not breathing, give artificial respiration

Chronic effects

This material can produce cyanide-like effect. Target central nervous system, liver

Target organs

Lvr, Nervous system

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

705

3.16 Nitriles Acetonitrile PARAMETER

UNIT

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-0.34

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

706

Benzonitrile PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Benzonitrile

CAS #

-

100-47-0

IUPAC name

benzonitrile

Common name

cyanobenzene

Common synonym

phenyl cyanide

Empirical formula

-

C7H5N

Formula CN

Molecular mass

daltons

103.1

RTECS number

-

DI2450000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

202-855-7

-

L

PHYSICAL PROPERTIES State Odor

-

almond

Odor threshold

ppm

0.029

Color

-

clear, colorless

Boiling point

o

C

190.7

Freezing point

o

C

-12.80

Refractive index at 20 C o

-

1.5200

Specific gravity

-

Specific gravity temperature

o

1.246

Vapor density

air=1

3.60

Vapor pressure

kPa

0.1

Vapor pressure temperature

o

C

20

Acceptor number

-

Donor number

kcal mol-1

11.9

Polarity parameter, ET(30)

kcal mol

41.5

C

20

15.5 -1

Corrosivity

-

N

Molar volume

cm3 mol-1

103.0

Coefficients of Antoine equation

coefficient A

4.85401

coefficient B

2110.572

coefficient C

-28.331

Temperature range of Antoine equation

K

301.3 to 463.7

Viscosity

mPas (cP)

1.24

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

707

Benzonitrile PARAMETER

UNIT

Viscosity temperature

o

Surface tension at 20 C

mN m-1

39.05

Solubility in water at 20 C

mg kg

poor

Hildebrand solubility parameter

(MPa)1/2

22.30

dD

18.8

dP

12.0

dH

3.3

-

26.0

Flammability

2

Health

2

o

o

Hansen solubility parameters, (MPa)

1/2

Relative permittivity

C

VALUE 25

-1

HEALTH & SAFETY NFPA classification

HMIS classification

Reactivity

0

Flammability

2

Health

2

Reactivity

0

UN risk phrases, R

R21/22

US safety phrases, S

S2,S23

UN number

-

UN/NA hazard class

6.1

UN packaging group

II

2224

DOT class

UN 2224 Benzonitrile 6.1, II

ICAO/IATA class, packaging group

UN 2224 BENZONITRILE, 6.1, II

IMDG class, packaging group

UN 2224 BENZONITRILE, 6.1, II

Proper shipping name

benzonitrile

Autoignition temperature

o

C

Flash point

o

C

Flash point method

-

CC

Explosion limit, lower

wt%

1.30

Explosion limit, upper

wt%

8.00

Animal testing, acute toxicity, Mouse oral LD50

mg kg-1

971

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

1,200

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

950/8H

550 75.0

Route of entry

Intraperitoneal, Subcutaneous

Ingestion

Harmful if swallowed

Skin irritation

Harmful if absorbed through skin. Causes skin irritation

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

708

Benzonitrile PARAMETER

UNIT

VALUE

Eye irritation

Causes eye irritation

Inhalation

May be harmful if inhaled. Causes respiratory tract irritation

First aid: eyes

Immediately flush eyes with water for 15 minutes. Consult a physician if irritation persists

First aid: skin

Wash off with soap and plenty of water. Consult physician

First aid: inhalation

Move person into fresh air. If not breathing, give artificial respiration. Consult a physician

Target organs

CNS,Blood,Lvr,Heart

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

1.56

USE & PERFORMANCE Recommended for polymers

rubber

Recommended for products

rubber, resins, lacquers, synthesis intermediate

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

709

Cyanoethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Cyanoethane

CAS #

-

107-12-0

IUPAC name

propanenitrile

Common name

propionitrile

Common synonym

ethyl cyanide

Acronym

-

PACN

Empirical formula

-

C3H5N

Formula

CH3CH2CN

Molecular mass

daltons

55.08

RTECS number

-

UF9625000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

203-464-4

PHYSICAL PROPERTIES State

-

L

Odor

-

ether like

Color

-

colorless

Boiling point

o

C

97.0

Freezing point

o

C

-93.0

Refractive index at 20 C o

-

1.3630

Specific gravity

-

Specific gravity temperature

o

Vapor pressure

kPa

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

36.12

Enthalpy of vaporization temperature

K

298.2

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Corrosivity

-

N

Molar volume

cm3 mol-1

70.9

Coefficients of Antoine equation

coefficient A

3.61732

coefficient B

1036.424

coefficient C

-83.76

K

308.6 to 370.5

Temperature range of Antoine equation

0.783

C

21 6.37

C

25

19.7 16.1 43.6

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

710

Cyanoethane PARAMETER

UNIT

Viscosity

mPas (cP)

Viscosity temperature

o

Solubility in water at 20oC

mg kg-1

34,000

Coefficient of thermal expansion

10-4 oC-1 (K-1)

12.40

Hildebrand solubility parameter

(MPa)1/2

21.40

dD

15.3

dP

14.3

Hansen solubility parameters, (MPa)

1/2

VALUE 0.41

C

25

dH Henry’s law constant

5.5

atm/m -mol 3

-1

3.40E-05

HEALTH & SAFETY NFPA classification

HMIS classification

UN risk phrases, R

Flammability

3

Health

4

Reactivity

1

Flammability

3

Health

4

Reactivity

1

R11,R20,R25,R27,R36

US safety phrases, S

S9,S16,S28,S36/37,S45

UN number

-

UN/NA hazard class

3

UN packaging group

II

DOT class

3, II

ICAO/IATA class, packaging group

forbidden

IMDG class, packaging group

UN 2404 PROPIONITRILE, 3 (6.1), II

Proper shipping name

propionitrile

Autoignition temperature

o

C

512

Flash point

o

C

2.0

Flash point method

-

CC

Explosion limit, lower

wt%

3.10

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, NIOSH

mg m

14

Threshold limiting value – TWA 8h, NIOSH

ppm

6

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

39

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg

210

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Ingestion

Harmful if swallowed

2404

14.00 -3

-1

500/4H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

711

Cyanoethane PARAMETER

UNIT

VALUE

Skin irritation

May be fatal if absorbed through skin. May cause skin irritation

Eye irritation

Causes eye irritation

Inhalation

Causes respiratory tract irritation

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.16

USE & PERFORMANCE Manufacturer

Solutia, TCI America, GFS Chemicals, Inc.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

712

Nitrobenzene PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Nitrobenzene

CAS #

-

98-95-3

IUPAC name

nitrobenzene

Common name

nitrobenzol

Common synonym

essence of mirbane

Empirical formula

-

C6H5NO2

Formula

NO2 Molecular mass

daltons

123.1

RTECS number

-

DA6475000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

202-716-0

PHYSICAL PROPERTIES State

-

L

Odor

-

almonds

Odor threshold

ppm

0.015

Color

-

yellow

Boiling point

o

C

210.0

Freezing point

o

C

5.0

Refractive index at 20 C

-

1.5500

Specific gravity

-

1.200

Specific gravity temperature

o

Vapor density

air=1

4.20

Vapor pressure

kPa

0.02

Vapor pressure temperature

o

Enthalpy of vaporization

kJ mol-1

56.10

Enthalpy of vaporization temperature

K

291.0

Acceptor number

-

14.8

Donor number

kcal mol-1

4.4

Polarity parameter, ET(30)

kcal mol

-1

41.2

Molar volume

cm mol

-1

102.7

Coefficients of Antoine equation

coefficient A

4.21553

coefficient B

1727.592

coefficient C

-73.438

o

C

25

C

20

3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

713

Nitrobenzene PARAMETER

UNIT

VALUE

Temperature range of Antoine equation

K

407.2 to 483.8

Viscosity

mPas (cP)

1.78

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)1/2

21.70

dD

20.0

dP

10.6

o

Hansen solubility parameters, (MPa)

1/2

C

25

-4 o

43.90 2,000

-1

C (K ) -1

-1

dH

8.14

3.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

34.80

Flammability

2

Health

3

Reactivity

1

3

-1

2.40E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R40,R62,R23/24/25,R48/23/24,R51,R53

US safety phrases, S

S1/2,S28S36/37,S45,S61

UN number

-

UN/NA hazard class

6.1

UN packaging group

II

DOT class

6.1, II

ICAO/IATA class, packaging group

UN 1662 NITROBENZENE, 6.1, II

IMDG class, packaging group

UN 1662 NITROBENZENE, 6.1, II

Proper shipping name

nitrobenzene

Autoignition temperature

o

C

480

Flash point

o

C

88.0

Flash point method

-

CC

Explosion limit, lower

wt%

1.80

Explosion limit, upper

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

5

Threshold limiting value – TWA 8h, ACGIH

ppm

1

Threshold limiting value – TWA 8h, NIOSH

mg m-3

5

Threshold limiting value – TWA 8h, NIOSH

ppm

1

Threshold limiting value – TWA 8h, OSHA

mg m-3

5

Threshold limiting value – TWA 8h, OSHA

ppm

1

Maximum exposure concentration NIOSH-IDLH

ppm

200

1662

40.0 -3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

714

Nitrobenzene PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

590

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

600

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

1,260/4H

Route of entry

Skin, Inh

Skin irritation

MAY BE ABSORBED!

Inhalation

Inhalation produces headache, blue lips or finger nails, blue skin, dizziness.

Carcinogenicity IARC

2B

Carcinogenicity NTP

P

ECOLOGICAL PROPERTIES Biological oxygen demand, 5 days

g g-1

0

Theoretical oxygen demand

g g-1

1.95

Montreal protocol

-

N

Partition coefficient

logKow

1.85

-

BASF AG, DuPont

USE & PERFORMANCE Manufacturer

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

715

Nitroethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Nitroethane

CAS #

-

IUPAC name

1-nitroethane

Acronym

-

NE

Empirical formula

-

C2H5NO2

79-24-3

Formula

CH3CH2NO2

Molecular mass

daltons

75.07

RTECS number

-

KI5600000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

201-188-9

Moisture content

wt%

98 wt%

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Odor threshold

ppm

163.0

Color

-

colorless

Boiling point

o

C

114.1

Freezing point

o

C

-89.50

Refractive index at 20 C o

-

1.3919

Specific gravity

-

Specific gravity temperature

o

Vapor density

air=1

2.50

Vapor pressure

kPa

2.79

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

1.21

Evaporation rate

ether=1

11.0

Donor number

kcal mol-1

Polarity parameter, ET(30)

kcal mol

Acid dissociation constant

-

8.46

Molar volume

cm3 mol-1

72.0

Coefficients of Antoine equation

coefficient A

4.71267

coefficient B

1671.266

coefficient C

-31.963

K

252.0 to 387.0

Temperature range of Antoine equation

1.045

C

25

C

25

-1

5.0 43.6

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

716

Nitroethane PARAMETER

UNIT

VALUE

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20oC

mg kg-1

Coefficient of thermal expansion

10

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

16.0

dP

15.5

0.677

C

20

-4 o

32.66 46,000

C (K ) -1

-1

1/2

11.20 22.30

dH

4.5

Henry’s law constant

atm/m3-mol-1

3.90E-05

Relative permittivity

-

28.06

Flammability

3

Health

1

Reactivity

3

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/22

US safety phrases, S

S9,S25,S41

UN number

-

UN/NA hazard class

3

UN packaging group

III

ICAO/IATA class, packaging group

UN 2842 NITROETHANE, 3, III

IMDG class, packaging group

UN 2842 NITROETHANE, 3, III

Proper shipping name

nitroethane

Autoignition temperature

o

C

414

Flash point

o

C

41.1

Flash point method

-

TCC

Explosion limit, lower

wt%

3.40

Explosion limit, upper

wt%

2842

40.0

Threshold limiting value – TWA 8h, ACGIH

mg m

307

Threshold limiting value – TWA 8h, ACGIH

ppm

100

Threshold limiting value – TWA 8h, NIOSH

mg m-3

310

Threshold limiting value – TWA 8h, NIOSH

ppm

100

Threshold limiting value – TWA 8h, OSHA

mg m-3

310

Threshold limiting value – TWA 8h, OSHA

ppm

100

Maximum exposure concentration NIOSH-IDLH

ppm

Animal testing, acute toxicity, Rat oral LD50

mg kg

-3

1,000 -1

1,625

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

717

Nitroethane PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

13,000/6H

Route of entry

Inh, Skin, Eye

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Inhalation produces headache, cough, dizziness, shortness of breath & convulsions.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.18

USE & PERFORMANCE Recommended for products

coatings, reaction medium, separation processes, fuel component, intermediates

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

718

Nitromethane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Nitromethane

CAS #

-

75-52-5

IUPAC name

nitromethane

Common name

nitrocarbol

Common synonym

mononitromethane

Acronym

-

NM

Empirical formula

-

CH3NO2

Formula

CH3NO2

Molecular mass

daltons

61.04

RTECS number

-

PA9800000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

200-876-6

PHYSICAL PROPERTIES State

-

L

Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

101.2

Freezing point

o

C

-29.0

Refractive index at 20 C o

-

1.3786

Specific gravity

-

Specific gravity temperature

o

1.138

Vapor density

air=1

2.11

Vapor pressure

kPa

3.6

Vapor pressure temperature

o

C

20

Evaporation rate

butyl acetate=1

1.39

Evaporation rate

ether=1

9.0

Enthalpy of vaporization

kJ mol

33.99

Enthalpy of vaporization temperature

K

Acceptor number

-

Donor number

kcal mol

-1

Polarity parameter, ET(30)

kcal mol

-1

Acid dissociation constant

-

10.21

Molar volume

cm3 mol-1

54.1

C

20

-1

374.4 20.5 2.7 46.3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

719

Nitromethane PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.40542

coefficient B

1446.196

coefficient C

-45.633

Temperature range of Antoine equation

K

328.9 to 409.5

pH

-

6.1

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Solubility in water at 20 C

mg kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

11.20

Hildebrand solubility parameter

(MPa)1/2

25.24

dD

15.8

dP

18.8

o

Hansen solubility parameters, (MPa)

1/2

0.647

C

20 37.48 105,000

-1

dH

6.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

35.87

Flammability

3

Health

1

Reactivity

4

3

-1

2.86E-04

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R5,R10,R22

US safety phrases, S

S41

UN number

-

UN/NA hazard class

3

UN packaging group

II

1261

DOT class

3, II

ICAO/IATA class, packaging group

forbidden

IMDG class, packaging group

UN 1261 NITROMETHANE, 3, II

Proper shipping name

nitromethane

Autoignition temperature

o

C

418

Flash point

o

C

44.4

Flash point method

-

Explosion limit, lower

wt%

TCC 7.30

Threshold limiting value – TWA 8h, ACGIH

mg m

50

Threshold limiting value – TWA 8h, ACGIH

ppm

20

Threshold limiting value – TWA 8h, OSHA

mg m-3

250

Threshold limiting value – TWA 8h, OSHA

ppm

100

-3

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

720

Nitromethane PARAMETER

UNIT

VALUE

Maximum exposure concentration NIOSH-IDLH

ppm

750

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

1,210

Route of entry

Inh, Skin, Eye

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Inhalation produces headache, cough, nausea, & sore throat.

Carcinogenicity NTP

P

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

-0.35

USE & PERFORMANCE Recommended for products

coatings, reaction medium, separation processes, fuel component, intermediates

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

721

Nitropropane, 1PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Nitropropane, 1-

CAS #

-

IUPAC name

1-nitropropane

Acronym

-

1-NP

Empirical formula

-

C3H7NO2

108-03-2

Formula

CH3CH2CH2NO2

Molecular mass

daltons

89.09

RTECS number

-

TZ5075000

Chemical category

-

nitrile

Mixture

-

N

EC number

-

203-544-9

-

L

PHYSICAL PROPERTIES State Odor

-

characteristic

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

131.2 -108.0 1.4016

Specific gravity

-

Specific gravity temperature

o

1.001

Vapor density

air=1

3.06

Vapor pressure

kPa

1.36

Vapor pressure temperature

o

Evaporation rate

butyl acetate=1

0.80

Evaporation rate

ether=1

16.0

Acid dissociation constant

-

8.98

Corrosivity

-

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

C

20

C

25

N 3

Temperature range of Antoine equation

-1

89.5 4.23774

coefficient B

1466.368

coefficient C

-58.029

K

331.8 to 404.5

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

30.64

Solubility in water at 20 C

mg kg

15,000

o

C

0.844 20

-1

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

722

Nitropropane, 1PARAMETER

UNIT

VALUE

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.10

Hildebrand solubility parameter

(MPa)1/2

21.11

dD

16.6

dP

12.3

Hansen solubility parameters, (MPa)

1/2

dH

5.5

Henry’s law constant

atm/m -mol

Relative permittivity

-

23.24

Flammability

3

Health

1

Reactivity

2

3

-1

8.50E-05

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/21/22

US safety phrases, S

S9

UN number

-

2608

UN/NA hazard class

3

UN packaging group

II

DOT class

3, III

ICAO/IATA class, packaging group

UN 2608 NITROPROPANES, 3, III

IMDG class, packaging group

UN 2608 NITROPROPANES, 3, III

Proper shipping name

nitropropanes

Autoignition temperature

o

C

420

Flash point

o

C

48.9

Flash point method

-

Explosion limit, lower

wt%

Threshold limiting value – TWA 8h, ACGIH

mg m

91

Threshold limiting value – TWA 8h, ACGIH

ppm

25

Threshold limiting value – TWA 8h, NIOSH

mg m-3

90

Threshold limiting value – TWA 8h, NIOSH

ppm

25

TCC 2.20 -3

Threshold limiting value – TWA 8h, OSHA

mg m

90

Threshold limiting value – TWA 8h, OSHA

ppm

25

Maximum exposure concentration NIOSH-IDLH

ppm

-3

1,000 455

Animal testing, acute toxicity, Rat oral LD50

mg kg

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

Inhalation produces headache, nausea, vomiting

-1

3,100/8H

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

723

Nitropropane, 1PARAMETER

UNIT

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

VALUE

ECOLOGICAL PROPERTIES Montreal protocol

-

N

Partition coefficient

logKow

0.87

USE & PERFORMANCE Recommended for products

coatings, reaction medium, separation processes, fuel component, intermediates

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

724

Nitropropane, 2PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Nitropropane, 2-

CAS #

-

79-46-9

IUPAC name

2-nitropropane

Common name

sec-nitropropane

Common synonym

isonitropropane

Acronym

-

2-NP

Empirical formula

-

C3H7NO2

Formula

O

N O

Molecular mass

daltons

89.09

RTECS number

-

TZ5250000

Mixture

-

N

EC number

-

201-209-1

PHYSICAL PROPERTIES State

-

L

Odor

-

mild, fruity

Odor threshold

ppm

25

Color

-

colorless

Boiling point

o

C

120.3

Freezing point

o

C

-93

Refractive index at 20 C

-

1.3944

Specific gravity

-

0.988

Specific gravity temperature

o

Vapor density

air=1

3.06

Vapor pressure

kPa

2.4

Vapor pressure temperature

o

C

25

Evaporation rate

butyl acetate=1

0.71

Evaporation rate

ether=1

10.0

o

C

20

Polarity parameter, ET(30)

kcal mol

Acid dissociation constant

-

Corrosivity

-

Molar volume

cm mol

-1

42.0 7.67 N

3

-1

90.6

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

725

Nitropropane, 2PARAMETER

UNIT

VALUE

Coefficients of Antoine equation

coefficient A

4.61144

coefficient B

1664.036

coefficient C

-32.155

Temperature range of Antoine equation

K

254.3 to 393.4

Viscosity

mPas (cP)

0.77

Viscosity temperature

o

Surface tension at 20oC

mN m-1

29.87

Solubility in water at 20 C

mg kg

17,000

Heat of combustion at 25 C

MJ kg

Coefficient of thermal expansion

10-4 oC-1 (K-1)

10.4

Hildebrand solubility parameter

(MPa)1/2

19.92

dD

16.2

dP

12.1

o

o

Hansen solubility parameters, (MPa)

1/2

C

20 -1

22.46

-1

dH

4.1

Henry’s law constant

atm/m -mol

Relative permittivity

-

25.52

Flammability

3

Health

2

Reactivity

1

3

-1

1.20E-04

HEALTH & SAFETY NFPA classification

UN risk phrases, R

R10,R20/21/22

US safety phrases, S

S9

UN number

-

UN/NA hazard class

3

UN packaging group

III

Autoignition temperature

o

C

428

Flash point

o

C

37.8

Flash point method

-

TCC

Explosion limit, lower

wt%

2.5

Threshold limiting value – TWA 8h, ACGIH

mg m-3

36

Threshold limiting value – TWA 8h, ACGIH

ppm

10

2608

Threshold limiting value – TWA 8h, OSHA

mg m

36

Threshold limiting value – TWA 8h, OSHA

ppm

10

Maximum exposure concentration NIOSH-IDLH

ppm

100

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

400-725

Animal testing, acute toxicity, Mouse oral LD50

mg kg

400

-3

-1

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726

Nitropropane, 2PARAMETER

UNIT

VALUE

Animal testing, acute toxicity, Rabbit dermal LD50

mg kg-1

>2,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

400/6H-1,513/4.5H

Route of entry

Inh, Skin

Skin irritation

May cause skin irritation.

Inhalation

Inhalation produces headache, cough, dizziness, nausea.

Carcinogenicity IARC

2B

Carcinogenicity NTP

P

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Aquatic toxicity, Daphnia magna, 24-h LC50 Aquatic toxicity Fathead minnow, 96-h LC50

mg l-1

290

mg l-1

4.71

Montreal protocol

-

N

Partition coefficient

logKow

0.93

Manufacturer

-

Yuhao Chemical

Recommended for polymers

vinyl resins

Recommended for products

coatings, reaction medium, separation processes, fuel component, intermediates, food extraction solvent, coatings, inks, dyes, adhesives

USE & PERFORMANCE

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

727

3.17 Perfluorocarbon Perfluorodecalin PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Perfluorodecalin

CAS #

-

IUPAC name

1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8aoctadecafluorodecalin

Common name

octadecafluorodecahydronaphthalene

Common synonym

naphthalene, decahydrooctadecafluoro-

Empirical formula

-

306-94-5

C10F18

Formula F

F

F F

F

F

F

F F F

F

F

F

F

F F

F

F

Molecular mass

daltons

462.08

RTECS number

-

QJ3175000

Chemical category

-

perfluorocarbon

Mixture

-

Y

EC number

-

206-192-4

Product contents

perfluorodecalin, mixture of cis and trans

PHYSICAL PROPERTIES State

-

L

Odor

-

odorless

Color

-

colorless

Boiling point

o

C

142.0

Freezing point

o

C

-5.0

Refractive index at 20 C o

-

1.2950

Specific gravity

-

Specific gravity temperature

o

1.941

Vapor pressure

kPa

Vapor pressure temperature

o

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Surface tension at 20oC

mN m-1

Hildebrand solubility parameter

(MPa)

Hansen solubility parameters, (MPa)1/2

dD

12.4

dP

0.0

dH

0.0

C

25 0.88

C

25 3

C

-1

251.9 5.1 25

1/2

17.60 13.15

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

728

3.17 Perfluorocarbon Perfluorodecalin PARAMETER

UNIT

VALUE

Flammability

2

Health

1

HEALTH & SAFETY NFPA classification

Reactivity

0

UN number

-

1993

UN/NA hazard class

3

UN packaging group

III

DOT class

3, III

ICAO/IATA class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (PERFLUORODECALIN), 3, III

IMDG class, packaging group

UN 1993 FLAMMABLE LIQUID, N.O.S. (PERFLUORODECALIN), 3, III

Proper shipping name

perfluorodecalin

Ingestion

May cause gastrointestinal irritation with nausea, vomiting and diarrhea.

Skin irritation

May cause irritation and dermatitis.

Eye irritation

May cause eye irritation. May cause chemical conjunctivitis and corneal damage.

Inhalation

May cause respiratory tract irritation. Aspiration may lead to pulmonary edema.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Biodegradation probability

readily biodegradable

Partition coefficient

logKow

7.80

-

F2 Chemical, Ltd

USE & PERFORMANCE Manufacturer

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

729

Perfluoroheptane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Perfluoroheptane

CAS #

-

IUPAC name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7hexadecafluoroheptane

Common name

hexadecafluoroheptane

Empirical formula

-

335-57-9

C7F16

Formula

CF3(CF2)5CF3

Molecular mass

daltons

388.05

Chemical category

-

perfluorocarbon

Mixture

-

Y

EC number

-

206-392-1

Product contents

perfluoroheptane, mixture of isomers

PHYSICAL PROPERTIES State

-

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.2520

Specific gravity

-

1.675

Vapor pressure

kPa

10.9

Vapor pressure temperature

o

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Hildebrand solubility parameter

(MPa)1/2

12.07

dD

12.0

dP

0.0

dH

0.0

Hansen solubility parameters, (MPa)

L 83.9 -51.0

C

25 3

1/2

-1

C

227.3 0.89 25

HEALTH & SAFETY UN risk phrases, R

R36/37/38

US safety phrases, S

S26,S36

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Partition coefficient

logKow

6.99

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

730

Perfluoroheptane PARAMETER

UNIT

VALUE

USE & PERFORMANCE Manufacturer

PELCHEM, The Chemical Division of Necsa

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

731

Perfluorohexane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Perfluorohexane

CAS #

-

IUPAC name

1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane

Common name

perfluoro-n-hexane

Common synonym

tetradecafluorohexane

Empirical formula

-

355-42-0

C6F14

Formula

CF3(CF2)4CF3

Molecular mass

daltons

338.04

RTECS number

-

MO4310000

Chemical category

-

perfluorocarbon

Mixture

-

N

EC number

-

206-585-0

Product contents

tetradecafluorohexane, >96 wt%

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

Freezing point

o

C

Refractive index at 20oC

-

1.2510

Specific gravity

-

1.690

Vapor pressure

kPa

29.2

Vapor pressure temperature

o

Molar volume

cm mol

Viscosity

mPas (cP)

Viscosity temperature

o

Hildebrand solubility parameter

(MPa)1/2

11.88

dD

12.1

dP

0.0

Hansen solubility parameters, (MPa)

Henry’s law constant

60.0 -88.0

C

25 3

1/2

-1

C

201.2 0.66 25

dH

0.0

atm/m3-mol-1

1.84E+04

Flammability

0

Health

2

Reactivity

0

HEALTH & SAFETY NFPA classification

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

732

Perfluorohexane PARAMETER

UNIT

VALUE

HMIS classification

Flammability

0

Health

2

Reactivity

0

Animal testing, acute toxicity, Rat oral LD50

mg kg-1

5,000

Animal testing, acute toxicity, Rat inhalation, LC50

ppm

40,000/6H

Route of entry

Inh, Eye, Ing

Ingestion

May cause gastrointestinal irritation with nausea, vomiting and diarrhea.

Skin irritation

May cause skin irritation.

Eye irritation

May cause eye irritation.

Inhalation

May cause respiratory tract irritation.

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Partition coefficient

logKow

6.02

USE & PERFORMANCE Recommended for products

In the electronics industry.

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

733

Perfluoropentane PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Perfluoropentane

CAS #

-

IUPAC name

1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane

Common name

duodecafluoropentane

Empirical formula

-

678-26-2

C5F12

Formula

CF3(CF2)3CF3

Molecular mass

daltons

288.04

Chemical category

-

perfluorocarbon

Mixture

-

Y

EC number

-

211-647-5

Product contents

Perfluoro-n-pentane, min. 96%(85% nisomer), mixture of isomers

PHYSICAL PROPERTIES State

-

L

Color

-

colorless

Boiling point

o

C

29.0

Freezing point

o

C

-120.0

Refractive index at 20 C

-

1.2560

Specific gravity

-

1.630

Specific gravity temperature

o

Molar volume

cm mol

Coefficients of Antoine equation

coefficient A

4.38423

coefficient B

1257.758

coefficient C

-13.231

o

C

25 3

-1

C

176.7

300.0 to 421.8

Temperature range of Antoine equation

o

Hansen solubility parameters, (MPa)

dD

11.3

dP

0.0

dH

0.0

Maximum concentration, any time, ACGIH

mg m-3

2.5 (as F)

Maximum concentration, any time, OSHA

mg m-3

2.5 (as F)

Route of entry

Inh, Eye, Ing

Skin irritation

Irritating to skin. Causes slight to mild irritation of the skin. May cause redness, itching and pain.

1/2

HEALTH & SAFETY

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

734

Perfluoropentane PARAMETER

UNIT

VALUE

Eye irritation

Causes slight to mild irritation of the eyes.

Inhalation

Irritating to respiratory tract, nose, mucous membranes

Carcinogenicity IARC

N

Carcinogenicity NTP

N

Carcinogenicity OSHA

N

ECOLOGICAL PROPERTIES Partition coefficient

logKow

4.40

USE & PERFORMANCE Manufacturer

Strem Chemicals, Inc

Databook of Solvents, 2nd Edition/Copyrights 2019; ChemTec Publishing

735

3.18 Polyhydric alcohols Diethylene glycol PARAMETER

UNIT

VALUE

GENERAL INFORMATION Name

Diethylene glycol

CAS #

-

111-46-6

IUPAC name

2-(2-hydroxyethoxy)ethanol

Common name

ethylene diglycol

Common synonym

2,2'-oxydiethanol, diglycol

Acronym

-

DEG

Empirical formula

-

C4H10O3

Formula

HOCH2CH2OCH2CH2OH

Molecular mass

daltons

106.14

RTECS number

-

ID5950000

Chemical category

-

polyhydric alcohol

Mixture

-

N

EC number

-

203-872-2

Product contents

assay >99.7 wt%, monoethylene glycol