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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

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Hydrocarbons
Alkanes    
Butane 0232 Start  
Decane 0428 Stub
Ethane 0266 B-Class
N-Heptane 0657 Start see Heptane
N-Hexane 0279 Start see Hexane
Isobutane 0901 Start
Isoheptane 0658   see 2-Methylhexane
Isopentane 1153 Start
Methane 0291 Start
Methylcyclohexane 0923  
2-Methylheptane 0731  
2-Methylpentane 1262  
3-Methylpentane 1263  
Nonane 1245 Stub
Octane 0933 Start
N-Pentane 0534 Start see Pentane
Propane 0319 Start
2,2,4-Trimethylpentane 0496 Stub
Cycloalkanes    
Cyclohexane 0242 Start
Cyclopentane 0353 Stub
Decahydronaphthalene 1548 Stub
Alkenes    
1,3-Butadiene 0017 B-Class
1-Butene 0396   Isomers of butylene
2-Butene 0397*   Isomers of butylene
Cyclohexene 1054 Stub OLD TABLE
Cyclopentadiene 0857 Start
1-Decene 1477  
1-Dodecene 1567  
Ethylene 0475 B-Class
5-Ethylidene-2-norbornene 0473  
1-Hexene 0490 Stub NO TABLE
Isobutene 1027   Isomers of butylene
Isoprene 0904 B-Class OLD TABLE
Alpha-Methylstyrene 0732  
Trans-beta-Methylstyrene 0736  
1,7-Octadiene 0606  
1-Octene 0934 Start NO TABLE
Propylene 0559 Start
1-Tetradecene 1566  
2,2,4-Trimethyl-1-pentene 0594  
2,2,4-Trimethyl-2-pentene 0737  
4-Vinylcyclohexene 1177  
Alkynes    
Acetylene 0089 B-Class
Propyne 0560 Stub see Methylacetylene
Aromatic hydrocarbons    
Anthracene 0825 Start OLD TABLE
Benzene 0015 B-Class
Biphenyl 0106 Start OLD TABLE
Cumene 0170 Stub
P-Cymene 0617 Stub
o-Diethylbenzene 0445  
Divinylbenzene 0885  
Dodecylbenzene 0265  
Ethylbenzene 0268 Start
1-Methylnaphthalene 1275  
2-Methylnaphthalene 1276  
Naphthalene 0667 B-Class
Styrene 0073 Start
O-Terphenol 1525  
1,2,3,4-Tetrahydronaphthalene 1527  
Toluene 0078 B-Class
1,2,3-Trimethylbenzene 1362  
1,2,4-Trimethylbenzene 1433  
1,3,5-Trimethylbenzene 1155  
2-Vinyltoluene 0733  
3-Vinyltoluene 0734  
4-Vinyltoluene 0735  
M-Xylene 0085 Stub SHORT TABLE
O-Xylene 0084 Stub SHORT TABLE
P-Xylene 0086 Stub SHORT TABLE


Carboxylic acids and derivatives

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Carboxylic acids and derivatives
Carboxylic acids    
Acetic acid 0363 FA
Acrylic acid 0688 Stub
Adipic acid 0369 Start
Benzoic acid 0103 B-Class
Butyric acid 1334 B-Class
Crotonic acid 0423 Stub from 1911 Britannica
2-Ethylhexanoic acid 0477  
Formic acid 0485 A-Class
Fumaric acid 1173 Start
N-Heptanoic acid 1179 Stub see Heptanoic acid
Hexanoic acid 1167 Stub
Isobutyric acid 0903 Stub NO TABLE
from 1911 Britannica
Isophthalic acid 0500 Stub
Maleic acid 1186 Start
Malonic acid 1085 Start
Methacrylic acid 0917 Stub from 1911 Britannica
Oleic acid 1005 Stub NO TABLE
Oxalic acid 0529 B-Class
Palmitic acid 0530 Stub SHORT TABLE
Phthalic acid 0768 Stub
Propionic acid 0806 A-Class
Stearic acid 0568 Stub SHORT TABLE
Terephthalic acid 0330 B-Class
Valeric acid 0346 Stub
Acid anhydrides    
Acetic anhydride 0209 Start
Hexahydro-4-methylphthalic anhydride 1376  
Maleic anhydride 0799 Start
Phthalic anhydride 0315 Stub
Propionic anhydride 0558  
Tetrahydrophthalic anhydride 1372  
Acyl chlorides
Acetyl chloride 0210 Start
Benzoyl chloride 1015 Stub
Amides    
Acetamide 0233 Stub NO TABLE
Acrylamide 0091 Start NO TABLE
N,N-Dimethylacetamide 0259  
N,N-Dimethylformamide 0457 B-Class see Dimethylformamide
Formamide 0891 Stub NO TABLE
N-Methylformamide 1087  
Esters    
N-Amyl acetate 0218 Stub
Sec-Amyl acetate 0219  
Benzyl acetate 1331 Stub NO TABLE
Benzyl benzoate 0390 Stub
N-Butyl acetate 0399  
Sec-Butyl acetate 0840  
Tert-Butyl acetate 1445  
Butyl acrylate 0400  
Butyl benzyl phthalate 0834   see Benzyl butyl phthalate
Butyl formate 0402  
Butyl methacrylate 1018  
Butyl propionate 0556  
Cyclohexyl acetate 0426  
Decyl acrylate 0368  
Di(2-ethylhexyl) phthalate 0271   see Bis(2-ethylhexyl) phthalate
NO TABLE
Di(2-ethylhexyl) sebacate 1270  
Di-n-heptyl phthalate 0832  
Diallyl phthalate 0430  
Dibutyl phthalate 0036  
Dibutyl sebacate 1349  
Dicyclohexyl phthalate 0651  
Diethyl phthalate 0258  
Diethyl succinate 1079  
Diisobutyl phthalate 0829  
Diisodecyl phthalate 0875  
Diisononyl phthalate 0831  
Diisooctyl phthalate 0876  
Dimethyl terephthalate 0262 Stub NO TABLE
Dimethyl phthalate 0261  
Dioctyl adipate 1292 Stub NO TABLE
Ethyl acetate 0367 B-Class
Ethyl acrylate 0267  
Ethyl formate 0623 Stub NO TABLE
Ethyl methacrylate 0272  
2-Ethylbutyl acrylate 1344  
Ethylene glycol dimethacrylate 1270 Stub NO TABLE
2-Ethylhexyl acrylate 0478  
2-Ethylhexyl methacrylate 1289  
Sec-Hexyl acetate 1335  
N-Hexyl acrylate 1288  
Isoamyl acetate 0356 Stub
Isobutyl acetate 0494 Stub
Isopropyl acetate 0907 Stub
Methyl acetate 0507 Stub OLD TABLE
Methyl acrylate 0625  
Methyl benzoate 1187  
Methyl formate 0664  
Methyl methacrylate 0300 Start
Methyl propionate 1029  
Neopentyl glycol diacrylate 1286  
Phenyl acetate 0539  
N-Propyl acetate 0940 Stub see Propyl acetate
NO TABLE
Vinyl acetate 0347 Stub
Nitriles    
Acetonitrile 0088 Start
Acrylonitrile 0092 Start OLD TABLE
Adiponitrile 0211 Stub SHORT TABLE
Benzonitrile 1103 Stub OLD TABLE
Butyronitrile 1465  
Malononitrile 1466 Stub SHORT TABLE
Methacrylonitrile 0652  
Phthalodinitrile 0670  
Iso-Phthalonitrile 1583   see Isophthalonitrile
Propionitrile 0320 Stub SHORT TABLE
Acyl peroxides    
Benzoyl peroxide 0225 Start OLD TABLE
Dodecanoyl peroxide 0264  


Other functional groups

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Other functional groups
Alcohols    
Allyl alcohol 0095 Stub OLD TABLE
Benzyl alcohol 0833 Start
1,2-Butanediol 0395  
1,3-Butanediol 1182  
1,4-Butanediol 1104 Start
1-Butanol 0111   Butanol
2-Butanol 0112   Butanol
Tert-Butanol 0114   Butanol
O-sec-Butylphenol 1472  
P-tert-Butylphenol 0637  
Catechol 0411 Start see Pyrocatechol
Cresol 0030 B-Class NO TABLE
Cyclohexanol 0243 Stub
1-Decanol 1490 Stub
Diacetone alcohol 0647  
Ethanol 0044 A-Class
Ethylene glycol 0270 B-Class OLD TABLE
2-Ethylhexanol 0890 Stub
Glycerol 0624 B-Class OLD TABLE
1-Heptanol 1082 Stub
2-Heptanol 1083  
1,6-Hexanediol 0491  
2,5-Hexanediol 0280  
1-Hexanol 1084 Stub
2-Hexanol 0488  
Hexylene glycol 0660  
Hydroquinone 0166 Start
Isoamyl alcohol 0798   Amyl alcohol
Isobutanol 0113 B-Class
Isodecyl alcohol 0495  
Isooctyl alcohol 0497   DOUBLE REDIRECT
Isopropyl alcohol 0554 B-Class
Methanol 0057 B-Class
Methyl isobutyl carbinol 0665  
2-Methyl-1-butanol 0506  
1-Methylcyclohexanol 0293  
2-Methylcyclohexanol 0294  
3-Methylcyclohexanol 0295  
4-Methylcyclohexanol 0296  
2-Naphthol 0719  
Neopentyl glycol 0305  
Nonyl phenol 0309  
1-Octanol 1030 Start Octanol
2-Octanol 1170  
P-Octylphenol 1345  
1-Pentanol 0535 Stub
3-Pentanol 0536  
Phenethyl alcohol 0936  
Phenol 0070 Start
O-Phenylphenol 0669 Start see 2-Phenylphenol
1-Propanol 0553 Start see Propan-1-ol
Propylene glycol 0321 Start NO TABLE
Resorcinol 1033 Start
O-tert-butylphenol 1549  
1-Tridecanol 1176  
3,5,5-Trimethylhexanol 0608  
Undecyl alcohol 1539  
2,4-Xylenol 0458  
3,5-Xylenol 1356  
Thiols    
Benzenethiol 0463   Thiophenols
NO TABLE
N-Butyl mercaptan 0018  
Cyclohexanethiol 0032  
1-Decanethiol 0035  
1-Dodecanethiol 0042  
Ethanethiol 0470 Stub
1-Hexadecanethiol 0025  
N-Hexanethiol 1523  
Methyl mercaptan 0299 Start see Methanethiol
NO TABLE
2-Methyl-2-propanethiol 0019  
N-Octyl mercaptan 1493  
Tert-Octyl mercaptan 1494  
1-Pentanethiol 1521  
Ethers    
Anisole 1014 Stub OLD TABLE
Bis(2-chloroethyl) ether 0417  
N-Butyl ether 1150  
Diallyl ether 1071  
Diethyl ether 0355 B-Class
Diethylene glycol diethyl ether 1151  
Diethylene glycol dimethyl ether 1357  
Diisopropyl ether 0906 Stub NO TABLE
1,4-Dimethoxybenzene 1297  
Dimethyl ether Stub  
Diphenyl ether 0791  
Dipropyl ether 0468  
Ethylene glycol dibutyl ether 1149  
Ethylene glycol diethyl ether 1569  
Ethylene glycol dimethyl ether 1568 Start see Dimethoxyethane
2-Methoxy-2-methylbutane 1496  
Vinyl ethyl ether 1261  
Organic peroxides    
Di-tert-butyl peroxide 1019  
Dicumyl peroxide 1346  
Organohalides    
Allyl chloride 0010 Stub NO TABLE
Benzotrichloride 0105  
Benzyl bromide 1225 Stub
Benzyl chloride 0016 Stub
Bromobenzene 1016 Stub
Bromochlorodifluoromethane 0635 Stub NO TABLE
Bromochloromethane 0392  
Bromoethane 1378 Stub
Bromoform 0108 Stub
1-Bromopropane 1332  
Carbon tetrabromide 0474 Stub see Tetrabromomethane
Carbon tetrachloride 0024 B-Class
Chlorobenzene 0642 Stub
1-Chlorobutane 0703  
Chlorodifluoroethane 0643  
Chlorodifluoromethane 0049 Stub
Chloroethane 0132 B-Class OLD TABLE
Chloroform 0027 B-Class
Chloroprene 0133 B-Class NO TABLE
O-Chlorostyrene 1388  
2-Chlorotoluene 1458  
4-Chlorotoluene 1386  
Chlorotrifluoroethane 1299  
Chlorotrifluoromethane 0420 Stub
1,2-Dibromo-3-chloropropane 0002  
Dibromodifluoromethane 1419  
2,2-Dichloro-1,1,1-trifluoroethane 1343  
Dichloroacetylene 1426  
1,2-Dichlorobenzene 1066  
1,3-Dichlorobenzene 1095  
1,4-Dichlorobenzene 0037 Start
Dichlorodifluoromethane 0048 Stub
1,1-Dichloroethane 0249 Start
1,2-Dichloroethane 0250 B-Class
1,2-Dichloroethylene 0436 Start see 1,2-Dichloroethene
Dichloromethane 0058 B-Class
Dichloromonofluoromethane 1106  
1,1-Dichloropropane 0723  
1,2-Dichloropropane 0441  
1,3-Dichloropropane 0724  
1,3-Dichloropropene 0995  
Dichlorotetrafluoroethane 0649 Stub see 1,2-Dichlorotetrafluoroethane
Ethyl iodide 0479 Stub
Ethylene dibromide 0045 Start see 1,2-Dibromoethane
Hexabromocyclododecane 1413  
Hexachlorobenzene 0895 Stub NO TABLE
Hexachlorobutadiene 0896  
Hexachlorocyclohexane 0487  
Hexachloroethane 0051  
Hexachloronaphthalene 0997  
Isobutyl chloride 0286  
Lindane 0053 Start NO TABLE
Methyl bromide 0109 B-Class see Bromomethane
NO TABLE
Methyl chloride 0419 B-Class see Chloromethane
Methyl iodide 0509 Start see Iodomethane
Octachloronaphthalene 1059  
Pentachlorobenzene 0531  
Pentachloroethane 1394  
Pentachloronaphthalene 0935  
Perfluoroisobutylene 1216  
1,1,2,2-Tetrabromoethane 1235  
1,1,2,2-Tetrachloro-1,2-difluoroethane 1421  
1,1,1,2-Tetrachloro-2,2-difluoroethane 1420  
1,2,4,5-Tetrachlorobenzene 0676  
1,1,1,2-Tetrachloroethane 1486  
1,1,2,2-Tetrachloroethane 0332  
Tetrachloroethylene 0076 B-Class
Tetrachloronaphthalene 1387  
1,1,1,2-Tetrafluoroethane 1281 Start
Tetrafluoromethane 0575 Stub
1,1,2-Trichloro-1,2,2-trifluoroethane 0050  
2,3,4-Trichloro-1-butene 0587  
1,2,3-Trichlorobenzene 1222  
1,2,4-Trichlorobenzene 1049  
1,3,5-Trichlorobenzene 0344  
1,1,1-Trichloroethane 0079 B-Class OLD TABLE
1,1,2-Trichloroethane 0080 Stub
Trichloroethylene 0081 B-Class OLD TABLE
Trichlorofluoromethane 0047 Stub
Trichloronaphthalene 0962  
1,2,3-Trichloropropane 0683  
Trifluorochloroethylene 0685  
Trifluoromethane 0577 Stub see Fluoroform
NO TABLE
Vinyl bromide 0597  
Vinyl chloride 0082 B-Class OLD TABLE
Vinyl fluoride 0598  
Vinylidene chloride 0083 Stub see 1,1-Dichloroethene
Vinylidene fluoride 0687  
Aldehydes    
Acetaldehyde 0009 Start
Acrolein 0090 Stub
Benzaldehyde 0102 B-Class
Butyraldehyde 0403 Stub Butanal
NO TABLE
Crotonaldehyde 0241  
Ethylhexaldehyde 0621  
Formaldehyde 0275 B-Class
Isobutyraldehyde 0902  
Methacrylaldehyde 1259  
Propionaldehyde 0550 Stub OLD TABLE
Valeraldehyde 1417   see Pentanal
Ketones    
Acetone 0087 B-Class
Acetophenone 1156 Stub
Benzophenone 0389 Stub
P-Benzoquinone 0779   see 1,4-Benzoquinone
SHORT TABLE
Cyclohexanone 0425 Start
Cyclopentanone 0427 Stub
Diisobutyl ketone 0713  
Dipropyl ketone 1414  
Ethyl n-butyl ketone 0889  
2-Hexanone 0489  
Methyl ethyl ketone 0179 Start see Butanone
Methyl isoamyl ketone 0815  
Methyl isobutyl ketone 0511 Start
Methyl n-amyl ketone 0920  
Methyl propyl ketone 0816 Stub see 2-Pentanone
Methyl tert-butyl ketone 1164  
3-Methyl-2-butanone 0922  
5-Methyl-3-heptanone 1391  
1,4-Naphthoquinone 1547 Stub SHORT TABLE
2,4-Pentadione 0533 Start see Acetylacetone
NO TABLE
3-Pentanone 0874 Stub
Amines    
Allylamine 0823  
Aniline 0011 Start
Anisidine 0970* Start NO TABLE
Benzylamine 1338  
Benzyldimethylamine 1340  
N-Butylamine 0374  
Sec-Butylamine 0401  
Cyclohexylamine 0245  
Di-n-butylamine 1337  
Di-n-pentylamine 0537  
Diallylamine 0866  
1,3-Diaminobutane 1078  
2,6-Diaminotoluene 0340  
Dicyclohexylamine 1339  
Diethylamine 0444  
Diethylaminetriamine 0620  
Diisobuylamine 1442  
Diisopropylamine 0449  
N,N-Dimethyl-p-toluidine 0456  
Dimethylamine 0260 Start OLD TABLE
3-Dimethylaminopropylamine 1227  
N,N-Dimethylaniline 0877  
N,N'-Diphenyl-p-phenylenediamine 1181  
Diphenylamine 0466 Stub NO TABLE
Dodecylamine 1364  
Ethylamine 0153 Stub
N-Ethyl-N-benzylaniline 1550  
N-Ethylaniline 1385  
Ethylenediamine 0269 Start SHORT TABLE
Hexylamine 1443  
Isobutylamine 1253  
N-Isopropyl-N'-phenyl-p-phenylaminediamine 1108  
Isopropylamine 0908  
N-Isopropylaniline 0909  
Methylamine 0178 Stub
N-Methylaniline 0921  
1,5-Naphthalenediamine 0668  
1-Naphthylamine 0518  
2-Naphthylamine 0610  
Octadecylamine 1365  
N-Phenyl-1,4-benzenediamine 1446  
N-Phenyl-1-Naphthylamine 1113  
Phenyl-beta-naphthylamine 0542  
M-Phenylenediamine 1302 Stub SHORT TABLE
O-Phenylenediamine 1441 Stub SHORT TABLE
P-Phenylenediamine 0805 Start NO TABLE
Propylamine 0941 Stub NO TABLE
Propylenediamine 0942  
2,4-Toluenediamine 0582  
Meta-Toluidine 0342   Toluidine
Ortho-Toluidine 0341   Toluidine
Para-Toluidine 0343   Toluidine
Tributylamine 1048  
Triethylamine 0203 Start
Trimethylamine 0206 Start OLD TABLE
Triphenylamine 1366  
2,4-Xylidine 1562  
2,6-Xylidine 1519  
Organohydrazines    
1,1-Dimethylhydrazine 0147  
1,2-Diphenylhydrazine 0263  
Phenylhydrazine 0938  
Nitro compounds    
1,2-Dinitrobenzene 0460  
1,3-Dinitrobenzene 0691  
1,4-Dinitrobenzene 0692  
2,3-Dinitrotoluene 0726  
2,4-Dinitrotoluene 0727  
2,6-Dinitrotoluene 0728  
3,4-Dinitrotoluene 0729  
Nitrobenzene 0065 Start
Nitrobiphenyl 1395  
Nitromethane 0522 Start
2-Nitronaphthalene 1504  
1-Nitropropane 1050  
2-Nitropropane 0187  
M-Nitrotoluene 1411  
O-Nitrotoluene 0931  
P-Nitrotoluene 0932  
2,4,6-Trinitrotoluene 0967 B-Class OLD TABLE
Sulfonic acids    
Dodecylbenzenesulfonic acid 1470  
P-Toluenesulfonic acid 0773   Tosyl
Isocyanates    
Cyclohexyl isocyanate 0856  
Hexamethylene diisocyanate 0278 Start
Methyl isocyanate 0004 Start NO TABLE
Methylene bisphenyl isocyanate 0298 Start see Methylene diphenyl diisocyanate
Naphthalene 1,5-diisocyanate 0653  
Phenyl isocyanate 1131  
2,4-Toluene diisocyanate 0339 Start see Toluene diisocyanate
Toluene-2,6-diisocyanate 1301   see Toluene diisocyanate
NO TABLE
Chloroformates    
Benzyl chloroformate 0990 Stub OLD TABLE
Ethyl chloroformate 1025  
Methyl chloroformate 1110  
Organophosphates    
Bis(2-ethylhexyl)phosphate 1412  
Dibutyl phosphate 1278  
Organosulfates    
Diethyl sulfate 0570 Stub
Dimethyl sulfate 0148 Stub
Organocarbonates    
Diethyl carbonate 1022  
Dimethyl carbonate 1080  
Organonitrates    
Ethylene glycol dinitrate 1056 Stub NO TABLE
Pentaerythritol tetranitrate 1576 B-Class PETN
OLD TABLE
N-Propyl nitrate 1513  
Propylene glycol dinitrate 1392  
Epoxides    
Butylene oxide 0636  
Ethylene oxide 0155 B-Class OLD TABLE
Propylene oxide 0192 Stub NO TABLE
Styrene oxide 1201  
Vinyl cyclohexene dioxide 0820  


Heterocyclic compounds

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Heterocyclic compounds
Nitrogen heterocycles    
Benzotriazole 1091  
2,2'-Dipyridyl 0093  
Ethyleneimine 0100  
2-Methylpyridine 0801  
3-Methylpyridine 0802  
4-Methylpyridine 0803  
Piperazine 1032 Start NO TABLE
Piperidine 0317 Stub
Propyleneimine 0322  
Pyridine 0323 Start
Quinoline 0071 Start
1,2,4-Triazole 0682 Stub Triazole
NO TABLE
2-Vinylpyridine 1232  
Oxygen heterocycles    
Benzofuran 0388 Stub
1,4-Dioxane 0041 Start
Furan 1257 Start
Tetrahydrofuran 0578 Start
Sulfur heterocycles    
Tetrahydrothiophene 0677  
Thiophene 1190 B-Class