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This list was compiled by searching all "simple" organic compounds (i.e. compounds with a single functional group) which have an International chemical safety card (ICSC), the idea being that such compounds are the most used in industry and their physical properties are easily accessible. The numbers quoted are the ICSC numbers.

Hydrocarbons

Hydrocarbons
Alkanes  
Butane0232Start 
Decane0428Stub
Ethane0266B-Class
N-Heptane0657Startsee Heptane
N-Hexane0279Startsee Hexane
Isobutane0901Start
Isoheptane0658 see 2-Methylhexane
Isopentane1153Start
Methane0291Start
Methylcyclohexane0923 
2-Methylheptane0731 
2-Methylpentane1262 
3-Methylpentane1263 
Nonane1245Stub
Octane0933Start
N-Pentane0534Startsee Pentane
Propane0319Start
2,2,4-Trimethylpentane0496Stub
Cycloalkanes  
Cyclohexane0242Start
Cyclopentane0353Stub
Decahydronaphthalene1548Stub
Alkenes  
1,3-Butadiene0017B-Class
1-Butene0396 Isomers of butylene
2-Butene0397* Isomers of butylene
Cyclohexene1054StubOLD TABLE
Cyclopentadiene0857Start
1-Decene1477 
1-Dodecene1567 
Ethylene0475B-Class
5-Ethylidene-2-norbornene0473 
1-Hexene0490StubNO TABLE
Isobutene1027 Isomers of butylene
Isoprene0904B-ClassOLD TABLE
Alpha-Methylstyrene0732 
Trans-beta-Methylstyrene0736 
1,7-Octadiene0606 
1-Octene0934StartNO TABLE
Propylene0559Start
1-Tetradecene1566 
2,2,4-Trimethyl-1-pentene0594 
2,2,4-Trimethyl-2-pentene0737 
4-Vinylcyclohexene1177 
Alkynes  
Acetylene0089B-Class
Propyne0560Stubsee Methylacetylene
Aromatic hydrocarbons  
Anthracene0825StartOLD TABLE
Benzene0015B-Class
Biphenyl0106StartOLD TABLE
Cumene0170Stub
P-Cymene0617Stub
o-Diethylbenzene0445 
Divinylbenzene0885 
Dodecylbenzene0265 
Ethylbenzene0268Start
1-Methylnaphthalene1275 
2-Methylnaphthalene1276 
Naphthalene0667B-Class
Styrene0073Start
O-Terphenol1525 
1,2,3,4-Tetrahydronaphthalene1527 
Toluene0078B-Class
1,2,3-Trimethylbenzene1362 
1,2,4-Trimethylbenzene1433 
1,3,5-Trimethylbenzene1155 
2-Vinyltoluene0733 
3-Vinyltoluene0734 
4-Vinyltoluene0735 
M-Xylene0085StubSHORT TABLE
O-Xylene0084StubSHORT TABLE
P-Xylene0086StubSHORT TABLE


Carboxylic acids and derivatives

Carboxylic acids and derivatives
Carboxylic acids  
Acetic acid0363FA
Acrylic acid0688Stub
Adipic acid0369Start
Benzoic acid0103B-Class
Butyric acid1334B-Class
Crotonic acid0423Stubfrom 1911 Britannica
2-Ethylhexanoic acid0477 
Formic acid0485A-Class
Fumaric acid1173Start
N-Heptanoic acid1179Stubsee Heptanoic acid
Hexanoic acid1167Stub
Isobutyric acid0903StubNO TABLE
from 1911 Britannica
Isophthalic acid0500Stub
Maleic acid1186Start
Malonic acid1085Start
Methacrylic acid0917Stubfrom 1911 Britannica
Oleic acid1005StubNO TABLE
Oxalic acid0529B-Class
Palmitic acid0530StubSHORT TABLE
Phthalic acid0768Stub
Propionic acid0806A-Class
Stearic acid0568StubSHORT TABLE
Terephthalic acid0330B-Class
Valeric acid0346Stub
Acid anhydrides  
Acetic anhydride0209Start
Hexahydro-4-methylphthalic anhydride1376 
Maleic anhydride0799Start
Phthalic anhydride0315Stub
Propionic anhydride0558 
Tetrahydrophthalic anhydride1372 
Acyl chlorides
Acetyl chloride0210Start
Benzoyl chloride1015Stub
Amides  
Acetamide0233StubNO TABLE
Acrylamide0091StartNO TABLE
N,N-Dimethylacetamide0259 
N,N-Dimethylformamide0457B-Classsee Dimethylformamide
Formamide0891StubNO TABLE
N-Methylformamide1087 
Esters  
N-Amyl acetate0218Stub
Sec-Amyl acetate0219 
Benzyl acetate1331StubNO TABLE
Benzyl benzoate0390Stub
N-Butyl acetate0399 
Sec-Butyl acetate0840 
Tert-Butyl acetate1445 
Butyl acrylate0400 
Butyl benzyl phthalate0834 see Benzyl butyl phthalate
Butyl formate0402 
Butyl methacrylate1018 
Butyl propionate0556 
Cyclohexyl acetate0426 
Decyl acrylate0368 
Di(2-ethylhexyl) phthalate0271 see Bis(2-ethylhexyl) phthalate
NO TABLE
Di(2-ethylhexyl) sebacate1270 
Di-n-heptyl phthalate0832 
Diallyl phthalate0430 
Dibutyl phthalate0036 
Dibutyl sebacate1349 
Dicyclohexyl phthalate0651 
Diethyl phthalate0258 
Diethyl succinate1079 
Diisobutyl phthalate0829 
Diisodecyl phthalate0875 
Diisononyl phthalate0831 
Diisooctyl phthalate0876 
Dimethyl terephthalate0262StubNO TABLE
Dimethyl phthalate0261 
Dioctyl adipate1292StubNO TABLE
Ethyl acetate0367B-Class
Ethyl acrylate0267 
Ethyl formate0623StubNO TABLE
Ethyl methacrylate0272 
2-Ethylbutyl acrylate1344 
Ethylene glycol dimethacrylate1270StubNO TABLE
2-Ethylhexyl acrylate0478 
2-Ethylhexyl methacrylate1289 
Sec-Hexyl acetate1335 
N-Hexyl acrylate1288 
Isoamyl acetate0356Stub
Isobutyl acetate0494Stub
Isopropyl acetate0907Stub
Methyl acetate0507StubOLD TABLE
Methyl acrylate0625 
Methyl benzoate1187 
Methyl formate0664 
Methyl methacrylate0300Start
Methyl propionate1029 
Neopentyl glycol diacrylate1286 
Phenyl acetate0539 
N-Propyl acetate0940Stubsee Propyl acetate
NO TABLE
Vinyl acetate0347Stub
Nitriles  
Acetonitrile0088Start
Acrylonitrile0092StartOLD TABLE
Adiponitrile0211StubSHORT TABLE
Benzonitrile1103StubOLD TABLE
Butyronitrile1465 
Malononitrile1466StubSHORT TABLE
Methacrylonitrile0652 
Phthalodinitrile0670 
Iso-Phthalonitrile1583 see Isophthalonitrile
Propionitrile0320StubSHORT TABLE
Acyl peroxides  
Benzoyl peroxide0225StartOLD TABLE
Dodecanoyl peroxide0264 


Other functional groups

Other functional groups
Alcohols  
Allyl alcohol0095StubOLD TABLE
Benzyl alcohol0833Start
1,2-Butanediol0395 
1,3-Butanediol1182 
1,4-Butanediol1104Start
1-Butanol0111 Butanol
2-Butanol0112 Butanol
Tert-Butanol0114 Butanol
O-sec-Butylphenol1472 
P-tert-Butylphenol0637 
Catechol0411Startsee Pyrocatechol
Cresol0030B-ClassNO TABLE
Cyclohexanol0243Stub
1-Decanol1490Stub
Diacetone alcohol0647 
Ethanol0044A-Class
Ethylene glycol0270B-ClassOLD TABLE
2-Ethylhexanol0890Stub
Glycerol0624B-ClassOLD TABLE
1-Heptanol1082Stub
2-Heptanol1083 
1,6-Hexanediol0491 
2,5-Hexanediol0280 
1-Hexanol1084Stub
2-Hexanol0488 
Hexylene glycol0660 
Hydroquinone0166Start
Isoamyl alcohol0798 Amyl alcohol
Isobutanol0113B-Class
Isodecyl alcohol0495 
Isooctyl alcohol0497 DOUBLE REDIRECT
Isopropyl alcohol0554B-Class
Methanol0057B-Class
Methyl isobutyl carbinol0665 
2-Methyl-1-butanol0506 
1-Methylcyclohexanol0293 
2-Methylcyclohexanol0294 
3-Methylcyclohexanol0295 
4-Methylcyclohexanol0296 
2-Naphthol0719 
Neopentyl glycol0305 
Nonyl phenol0309 
1-Octanol1030StartOctanol
2-Octanol1170 
P-Octylphenol1345 
1-Pentanol0535Stub
3-Pentanol0536 
Phenethyl alcohol0936 
Phenol0070Start
O-Phenylphenol0669Startsee 2-Phenylphenol
1-Propanol0553Startsee Propan-1-ol
Propylene glycol0321StartNO TABLE
Resorcinol1033Start
O-tert-butylphenol1549 
1-Tridecanol1176 
3,5,5-Trimethylhexanol0608 
Undecyl alcohol1539 
2,4-Xylenol0458 
3,5-Xylenol1356 
Thiols  
Benzenethiol0463 Thiophenols
NO TABLE
N-Butyl mercaptan0018 
Cyclohexanethiol0032 
1-Decanethiol0035 
1-Dodecanethiol0042 
Ethanethiol0470Stub
1-Hexadecanethiol0025 
N-Hexanethiol1523 
Methyl mercaptan0299Startsee Methanethiol
NO TABLE
2-Methyl-2-propanethiol0019 
N-Octyl mercaptan1493 
Tert-Octyl mercaptan1494 
1-Pentanethiol1521 
Ethers  
Anisole1014StubOLD TABLE
Bis(2-chloroethyl) ether0417 
N-Butyl ether1150 
Diallyl ether1071 
Diethyl ether0355B-Class
Diethylene glycol diethyl ether1151 
Diethylene glycol dimethyl ether1357 
Diisopropyl ether0906StubNO TABLE
1,4-Dimethoxybenzene1297 
Dimethyl etherStub 
Diphenyl ether0791 
Dipropyl ether0468 
Ethylene glycol dibutyl ether1149 
Ethylene glycol diethyl ether1569 
Ethylene glycol dimethyl ether1568Startsee Dimethoxyethane
2-Methoxy-2-methylbutane1496 
Vinyl ethyl ether1261 
Organic peroxides  
Di-tert-butyl peroxide1019 
Dicumyl peroxide1346 
Organohalides  
Allyl chloride0010StubNO TABLE
Benzotrichloride0105 
Benzyl bromide1225Stub
Benzyl chloride0016Stub
Bromobenzene1016Stub
Bromochlorodifluoromethane0635StubNO TABLE
Bromochloromethane0392 
Bromoethane1378Stub
Bromoform0108Stub
1-Bromopropane1332 
Carbon tetrabromide0474Stubsee Tetrabromomethane
Carbon tetrachloride0024B-Class
Chlorobenzene0642Stub
1-Chlorobutane0703 
Chlorodifluoroethane0643 
Chlorodifluoromethane0049Stub
Chloroethane0132B-ClassOLD TABLE
Chloroform0027B-Class
Chloroprene0133B-ClassNO TABLE
O-Chlorostyrene1388 
2-Chlorotoluene1458 
4-Chlorotoluene1386 
Chlorotrifluoroethane1299 
Chlorotrifluoromethane0420Stub
1,2-Dibromo-3-chloropropane0002 
Dibromodifluoromethane1419 
2,2-Dichloro-1,1,1-trifluoroethane1343 
Dichloroacetylene1426 
1,2-Dichlorobenzene1066 
1,3-Dichlorobenzene1095 
1,4-Dichlorobenzene0037Start
Dichlorodifluoromethane0048Stub
1,1-Dichloroethane0249Start
1,2-Dichloroethane0250B-Class
1,2-Dichloroethylene0436Startsee 1,2-Dichloroethene
Dichloromethane0058B-Class
Dichloromonofluoromethane1106 
1,1-Dichloropropane0723 
1,2-Dichloropropane0441 
1,3-Dichloropropane0724 
1,3-Dichloropropene0995 
Dichlorotetrafluoroethane0649Stubsee 1,2-Dichlorotetrafluoroethane
Ethyl iodide0479Stub
Ethylene dibromide0045Startsee 1,2-Dibromoethane
Hexabromocyclododecane1413 
Hexachlorobenzene0895StubNO TABLE
Hexachlorobutadiene0896 
Hexachlorocyclohexane0487 
Hexachloroethane0051 
Hexachloronaphthalene0997 
Isobutyl chloride0286 
Lindane0053StartNO TABLE
Methyl bromide0109B-Classsee Bromomethane
NO TABLE
Methyl chloride0419B-Classsee Chloromethane
Methyl iodide0509Startsee Iodomethane
Octachloronaphthalene1059 
Pentachlorobenzene0531 
Pentachloroethane1394 
Pentachloronaphthalene0935 
Perfluoroisobutylene1216 
1,1,2,2-Tetrabromoethane1235 
1,1,2,2-Tetrachloro-1,2-difluoroethane1421 
1,1,1,2-Tetrachloro-2,2-difluoroethane1420 
1,2,4,5-Tetrachlorobenzene0676 
1,1,1,2-Tetrachloroethane1486 
1,1,2,2-Tetrachloroethane0332 
Tetrachloroethylene0076B-Class
Tetrachloronaphthalene1387 
1,1,1,2-Tetrafluoroethane1281Start
Tetrafluoromethane0575Stub
1,1,2-Trichloro-1,2,2-trifluoroethane0050 
2,3,4-Trichloro-1-butene0587 
1,2,3-Trichlorobenzene1222 
1,2,4-Trichlorobenzene1049 
1,3,5-Trichlorobenzene0344 
1,1,1-Trichloroethane0079B-ClassOLD TABLE
1,1,2-Trichloroethane0080Stub
Trichloroethylene0081B-ClassOLD TABLE
Trichlorofluoromethane0047Stub
Trichloronaphthalene0962 
1,2,3-Trichloropropane0683 
Trifluorochloroethylene0685 
Trifluoromethane0577Stubsee Fluoroform
NO TABLE
Vinyl bromide0597 
Vinyl chloride0082B-ClassOLD TABLE
Vinyl fluoride0598 
Vinylidene chloride0083Stubsee 1,1-Dichloroethene
Vinylidene fluoride0687 
Aldehydes  
Acetaldehyde0009Start
Acrolein0090Stub
Benzaldehyde0102B-Class
Butyraldehyde0403StubButanal
NO TABLE
Crotonaldehyde0241 
Ethylhexaldehyde0621 
Formaldehyde0275B-Class
Isobutyraldehyde0902 
Methacrylaldehyde1259 
Propionaldehyde0550StubOLD TABLE
Valeraldehyde1417 see Pentanal
Ketones  
Acetone0087B-Class
Acetophenone1156Stub
Benzophenone0389Stub
P-Benzoquinone0779 see 1,4-Benzoquinone
SHORT TABLE
Cyclohexanone0425Start
Cyclopentanone0427Stub
Diisobutyl ketone0713 
Dipropyl ketone1414 
Ethyl n-butyl ketone0889 
2-Hexanone0489 
Methyl ethyl ketone0179Startsee Butanone
Methyl isoamyl ketone0815 
Methyl isobutyl ketone0511Start
Methyl n-amyl ketone0920 
Methyl propyl ketone0816Stubsee 2-Pentanone
Methyl tert-butyl ketone1164 
3-Methyl-2-butanone0922 
5-Methyl-3-heptanone1391 
1,4-Naphthoquinone1547StubSHORT TABLE
2,4-Pentadione0533Startsee Acetylacetone
NO TABLE
3-Pentanone0874Stub
Amines  
Allylamine0823 
Aniline0011Start
Anisidine0970*StartNO TABLE
Benzylamine1338 
Benzyldimethylamine1340 
N-Butylamine0374 
Sec-Butylamine0401 
Cyclohexylamine0245 
Di-n-butylamine1337 
Di-n-pentylamine0537 
Diallylamine0866 
1,3-Diaminobutane1078 
2,6-Diaminotoluene0340 
Dicyclohexylamine1339 
Diethylamine0444 
Diethylaminetriamine0620 
Diisobuylamine1442 
Diisopropylamine0449 
N,N-Dimethyl-p-toluidine0456 
Dimethylamine0260StartOLD TABLE
3-Dimethylaminopropylamine1227 
N,N-Dimethylaniline0877 
N,N'-Diphenyl-p-phenylenediamine1181 
Diphenylamine0466StubNO TABLE
Dodecylamine1364 
Ethylamine0153Stub
N-Ethyl-N-benzylaniline1550 
N-Ethylaniline1385 
Ethylenediamine0269StartSHORT TABLE
Hexylamine1443 
Isobutylamine1253 
N-Isopropyl-N'-phenyl-p-phenylaminediamine1108 
Isopropylamine0908 
N-Isopropylaniline0909 
Methylamine0178Stub
N-Methylaniline0921 
1,5-Naphthalenediamine0668 
1-Naphthylamine0518 
2-Naphthylamine0610 
Octadecylamine1365 
N-Phenyl-1,4-benzenediamine1446 
N-Phenyl-1-Naphthylamine1113 
Phenyl-beta-naphthylamine0542 
M-Phenylenediamine1302StubSHORT TABLE
O-Phenylenediamine1441StubSHORT TABLE
P-Phenylenediamine0805StartNO TABLE
Propylamine0941StubNO TABLE
Propylenediamine0942 
2,4-Toluenediamine0582 
Meta-Toluidine0342 Toluidine
Ortho-Toluidine0341 Toluidine
Para-Toluidine0343 Toluidine
Tributylamine1048 
Triethylamine0203Start
Trimethylamine0206StartOLD TABLE
Triphenylamine1366 
2,4-Xylidine1562 
2,6-Xylidine1519 
Organohydrazines  
1,1-Dimethylhydrazine0147 
1,2-Diphenylhydrazine0263 
Phenylhydrazine0938 
Nitro compounds  
1,2-Dinitrobenzene0460 
1,3-Dinitrobenzene0691 
1,4-Dinitrobenzene0692 
2,3-Dinitrotoluene0726 
2,4-Dinitrotoluene0727 
2,6-Dinitrotoluene0728 
3,4-Dinitrotoluene0729 
Nitrobenzene0065Start
Nitrobiphenyl1395 
Nitromethane0522Start
2-Nitronaphthalene1504 
1-Nitropropane1050 
2-Nitropropane0187 
M-Nitrotoluene1411 
O-Nitrotoluene0931 
P-Nitrotoluene0932 
2,4,6-Trinitrotoluene0967B-ClassOLD TABLE
Sulfonic acids  
Dodecylbenzenesulfonic acid1470 
P-Toluenesulfonic acid0773 Tosyl
Isocyanates  
Cyclohexyl isocyanate0856 
Hexamethylene diisocyanate0278Start
Methyl isocyanate0004StartNO TABLE
Methylene bisphenyl isocyanate0298Startsee Methylene diphenyl diisocyanate
Naphthalene 1,5-diisocyanate0653 
Phenyl isocyanate1131 
2,4-Toluene diisocyanate0339Startsee Toluene diisocyanate
Toluene-2,6-diisocyanate1301 see Toluene diisocyanate
NO TABLE
Chloroformates  
Benzyl chloroformate0990StubOLD TABLE
Ethyl chloroformate1025 
Methyl chloroformate1110 
Organophosphates  
Bis(2-ethylhexyl)phosphate1412 
Dibutyl phosphate1278 
Organosulfates  
Diethyl sulfate0570Stub
Dimethyl sulfate0148Stub
Organocarbonates  
Diethyl carbonate1022 
Dimethyl carbonate1080 
Organonitrates  
Ethylene glycol dinitrate1056StubNO TABLE
Pentaerythritol tetranitrate1576B-ClassPETN
OLD TABLE
N-Propyl nitrate1513 
Propylene glycol dinitrate1392 
Epoxides  
Butylene oxide0636 
Ethylene oxide0155B-ClassOLD TABLE
Propylene oxide0192StubNO TABLE
Styrene oxide1201 
Vinyl cyclohexene dioxide0820 


Heterocyclic compounds

Heterocyclic compounds
Nitrogen heterocycles  
Benzotriazole1091 
2,2'-Dipyridyl0093 
Ethyleneimine0100 
2-Methylpyridine0801 
3-Methylpyridine0802 
4-Methylpyridine0803 
Piperazine1032StartNO TABLE
Piperidine0317Stub
Propyleneimine0322 
Pyridine0323Start
Quinoline0071Start
1,2,4-Triazole0682StubTriazole
NO TABLE
2-Vinylpyridine1232 
Oxygen heterocycles  
Benzofuran0388Stub
1,4-Dioxane0041Start
Furan1257Start
Tetrahydrofuran0578Start
Sulfur heterocycles  
Tetrahydrothiophene0677 
Thiophene1190B-Class