CAS591-76-4
FormulaC7H16
SynonymHexane, 2-methyl-, Isoheptane, Isoheptane, Ethylisobutylmethane, 2-Methylhexane
Molecular weight100.20
InChI1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
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CAS35065-27-1
FormulaC12H4Cl6
Synonym1,1'-Biphenyl, 2,2',4,4',5,5'-hexachloro-, 2,4,5,2',4',5'-Hexachlorobiphenyl, 2,2',4,4',5,5'-Hexachlorobiphenyl, 2,2',4,4',5,5'-Hexachloro-1,1'-biphenyl, Biphenyl, 2,2',4,4',5,5'-hexachloro-, 2,2´,4,4´,5,5´-Hexachlorobiphenyl, 1,1-Biphenyl, 2,2,4,4,5,5-hexachloro-, 2,2,4,4,5,5-Hexachloro-1,1-biphenyl, 2,4,5,2,4,5-Hexachlorobiphenyl
Molecular weight360.88
InChI1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H
CAS28652-04-2
Formula(C5H11)2C6H3OH
SynonymDiamyl phenol, Dipentyl phenol, 1-Hydroxy-2,4-diamylbenzene
CAS2726-73-0
FormulaC18H38O2
Synonym12-Hydroxystearyl alcohol, 1,12-Octadecanediol
Molecular weight286.50
SMILESO[C@@H](CCCCCCCCCCCO)CCCCCC
CAS26952-21-6
FormulaCH3(CH2)3CH(C2H5)CH2OH
SynonymIsooctyl alcohol, Alcohol C8, Isooctanol, Isooctan-1-ol, 6-Methylheptanol, 6-Methyl-1-heptanol
CAS26896-20-8
FormulaC10H20O2
SynonymWiltz-65, Neodecanoic acid
Molecular weight172.26
InChI1S/C10H20O2/c1-4-5-6-7-8-10(2,3)9(11)12/h4-8H2,1-3H3,(H,11,12)
CAS24800-44-0
FormulaC9H20O4
SynonymTripropylene glycol, 2-(2-(2-Hydroxypropoxy) propoxy)-1-propanol, 3-[3-(3-Hydroxypropoxy) propoxy] propan-1-ol, ((1-Methyl-1,2-ethanediyl) bis (oxy)) bis (propanol), ((Methylethylene) bis (oxy)) dipropanol, PPG-3 Propanol, ((1-methyl-1,2-ethanediyl) bis (oxy)) bis-, TPG
Molecular weight192.25
Melting Point-3.00E+01 ° C
Atmospheric OH Rate Constant5.63E-11 cm3/molecule-sec
Boiling Point271 ° C
log P (octanol-water)-0.500
Henry's Law Constant3.30E-15 atm-m3/mole
Water solubility7.00E+05 mg/L
Vapor Pressure4.80E-04 mm Hg
CAS2421-28-5
FormulaC17H6O7
SynonymPhthalic anhydride, 4,4'-carbonyldi-, Benzophenonetetracarboxylic acid anhydride, Benzophenonetetracarboxylic acid dianhydride, Benzophenonetetracarboxylic anhydride, Benzophenonetetracarboxylic dianhydride, 3,3',4,4'-Benzophenonetetracarboxylic acid dianhydride, 3,3',4,4'-Benzophenonetetracarboxylic dianhydride, 3,3',4,4'-Tetracarboxybenzophenone dianhydride, 4,4'-Carbonylbis(phthalic anhydride), 4,4'-Carbonyldiphthalic anhydride, 4,4'-Diphthalic anhydride ketone, Benzophenone-3,3',4,4'-tetracarboxylic dianhydride, NSC 78480, benzophenone-3,3':4,4'-tetracarboxylic dianhydride, Bis-(3-phthalyl anhydride) ketone, 3,3´,4,4´-Benzophenone tetracarboxylic dianhydride, Benzophenone tetracarboxylate dianhydride, 3,3,4,4-Benzophenonetetracarboxylate dianhydride, Benzophenone-3,3-4,4-tetracarboxylic dianhydride, BTDA, 5,5-Carbonylbis 1,3-isobenzofurandione 4,4-Carbonylbis (phthalic anhydride), 4,4-Carbonyldiphthalic acid anhydride, 4,4-Carbonyldiphthalic anhydride
Molecular weight322.23
InChI1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H
CAS20587-61-5
FormulaC11H14O4
Synonym2-(2-hydroxyethoxy)ethyl benzoate, 2-(2-hydroxyethoxy)ethyl benzoate, Ethanol, 2-2-(benzoyloxy)ethoxy-, Diethylene glycol monobenzoate, 2-[2-(benzoyloxy)ethoxy]-Ethanol, Benzoic acid 2-(2-hydroxyethoxy)ethyl ester, Benzoic acid 5-hydroxy-3-oxapentane-1-yl ester, Ai3-13034, Diethylene glycol benzoate, 2-(2-hydroxyethoxy)ethyl benzoate, Diethylene glycol monobenzoate
Molecular weight210.23
EINECS243-895-5
InChI1S/C11H14O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h1-5,12H,6-9H2
CAS141-38-8
FormulaC26H50O3
Synonym2-ethylhexyl9,10-epoxyoctadecanoate, 3-octyl-oxiraneoctanoicaci2-ethylhexylester, 9,10-epoxy-octadecanoicaci2-ethylhexylester, 9,10-epoxyoctadecanoicacid,2-ethylhexylester, 9,10-epoxystearicacid,2-ethylhexylester, Oxiraneoctanoicacid,3-octyl-,2-ethylhexylester, 2-ethylhexyl 3-octyloxiran-2-octanoate, Octadecanoic acid, 9,10-epoxy, 2-ethylhexyl ester., 2-Ethylhexyl epoxystearate, 9,10-Epoxystearic acid-2-ethylhexyl ester, 2-Ethylhexyl 9,10-epoxyoctadecanoate, Octadecanoic acid, 9,10-epoxy-, 2-ethylhexyl ester, Octyl epoxystearate
Molecular weight410.67
EINECS205-482-8
CAS97-72-3
FormulaC8H14O3
SynonymIsobutyric anhydride, Isobutryic anhydride, Isobutyric acid anhydride, Isobutyryl anhydride, 2-Methylpropanoic anhydride, (iso-C3H7CO)2O, 2-Methylpropanoic acid anhydride, UN 2530, Propanoic acid, 2-methyl-, 1,1'-anhydride, Isobutyric anhydride, Isobutyric acid anhydride, Isobutyryl anhydride, Isobutyryl oxide, Isopropylformic anhydride, 2-Methylpropanoic acid anhydride 2-Methylpropanoic anhydride, 2-Methylpropionic anhydride
Molecular weight158.20
InChI1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3
CAS144-19-4
FormulaC8H18O2
Synonym2,2,4-Trimethyl-1,3-pentanediol, 1,3-Pentanediol, 2,2,4-trimethyl-, 2,2,4-Trimethyl pentanediol-1,3, TMPD, TMPD Glycol, 1,3-Dihydroxy-2,2,4-trimethyl pentane, 2,2,4-Trimethyl-1,3-pentanediol, 1,3-Pentanediol, 2,2,4-trimethyl, TMPD, Trimethylpentanediol
Molecular weight146.23
InChI1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
Boiling Point232 °C
Density0,937 g/cm3
Melting Point50-53 °C
Flash Point>230 °F
CAS1300-71-6
Formula(CH3)2C6H3OH
SynonymXylenol, Dimethylhydroxybenzene, Dimethylphenol, Hydroxydimethylbenzene, Hydroxyxylene, Phenol, dimethyl- Xylenol, mixed, Xylenols
Henry's Law Constant6.83E-07 atm-m3/mole
Atmospheric OH Rate Constant5.05E-11 cm3/molecule-sec
log P (octanol-water)2.610
Water solubility4070 mg/L
Vapor Pressure0.096 mm Hg
pKa Dissociation Constant10.595
CAS88-18-6
FormulaC10H14O
SynonymPhenol, 2-(1,1-dimethylethyl)-, o-Tertbutylphenol, 2-(1,1-Dimethylethyl)-phenol, Phenol, 2-tert-butyl-, Phenol, o-tert-butyl-, 2-t-Butylphenol, 1-tert-butyl-2-hydroxy-benzen, 2-(1,1-dimethylethyl)-pheno, 2-(1,1-dimethylethyl)phenol, 2-(1,1-dimethylethyl)-Phenol, 2-t-Butylphenol, 2-tert-butyl-1-hydroxybenzene, o-(tert-butyl)-pheno, o-tert-butyl-pheno, 2-tert-Butylphenol, 2-t-Butylphenol, o-t-Butylphenol, OTBP, Phenol, o-(t-butyl)-
Molecular weight150.22
EINECS201-807-2
SMILESc1(c(cccc1)O)C(C)(C)C
InChI1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
pKa Dissociation Constant10.28
Water solubility700 mg/L
Boiling Point223 ° C
Henry's Law Constant2.54E-05 atm-m3/mole
Atmospheric OH Rate Constant4.06E-11 cm3/molecule-sec
log P (octanol-water)3.31
Melting Point-6.80E+00 ° C
Melting Point-7 °C
BRN Number1907120
Water solubility0.23 g/100 mL (20 ºC)
Refractive Index1.523
Flash Point>230 °F
Vapor Pressure0.05 mm Hg ( 20 °C)
Boiling Point224 °C
Density0.978 g/mL at 25 °C
CAS139-44-6
FormulaC21H42O5; C57H110O9
Synonym1,2,3-propanetriyl tris(12-hydroxyoctadecanoate), TRIHYDROXYSTEARIN, Glycerol 12-hydroxystearate, Octadecanoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester, GLYCEROLTRIS(12-HYDROXYSTEARATE), trihydroxy, 12-Hydroxystearic acid triglyceride, L-Glycerol tris(12-hydroxystearate), 1,2,3-propanetriyl tris(12-hydroxyoctadecanoate), Trihydroxystearin, Glyceryl tri (12-hydroxystearate), Glyceryl tris-12-hydroxystearate, 12-Hydroxyoctadecanoic acid, 1,2,3-propanetriyl ester, 1,2,3-Propanetriol tri (12-hydroxystearate), 1,2,3-Propanetriyl tris (12-hydroxyoctadecanoate)
Molecular weight374.56
EINECS205-364-6
SMILESC(COC(CCCCCCCCCC[C@@H](CCCCCC)O)=O)(COC(CCCCCCCCCC[C@@H](CCCCCC)O)=O)OC(CCCCCCCCCC[C@@H](CCCCCC)O)=O
CAS1323-65-5
FormulaC24H42O
SynonymDinonyl phenol, Phenol, dinonyl-
Molecular weight346.59
SMILESCCCCCCCCCc1cccc(c1CCCCCCCCC)O
CAS1319-77-3
FormulaC7H8O
Synonym4-06-00-02035 (Beilstein Handbook Reference), Acede cresylique, Acede cresylique [French], Acide cresylique, Acide cresylique [French], AI3-02360, ar-Toluenol, Bacillol, BRN 0506719, CCRIS 6006, Cresol, Cresoli, Cresoli [Italian], Cresolum crudum, Cresylate, Cresylic acid, EC 215-293-2, EINECS 215-293-2, HSDB 250, Hydroxymethylbenzene, Hydroxytoluole, Hydroxytoluole [German], Kresole, Kresole [German], Kresolen, Kresolen [Dutch], Kresolum venale, Krezol, Krezol [Polish], Methyl phenol, Methylphenol, Phenol, methyl-, RCRA waste number U052, Tekresol, Tricresol, Tricresolum, Trikresolum, UNII-GF3CGH8D7Z, Cresol, Cresol, pure, Phenol, methyl-, Superlist Names Coal tar phenols, Cresol, Cresol (isomers and mixture), Cresol (mixed isomers), Cresol, all isomers, Cresols, Cresols / cresylic acid (isomers and mixture), Cresols, mixed isomers, Cresylic acid, Cresylic acid (isomers and mixture), Cresylic acid [UN2022] [Poison], Cresylic acid, dephenolized, Phenol, methyl-, RCRA waste no. U052, UN2022, Cresylic acid, Coal tar acids, Coal tar cresols, Cresol, Cresol mixture, m-, p-, Cresols Cresylol, Methyl phenol, Mixed cresols (INCI), Oxytoluene, ar-Toluenol Tricresol
Molecular weight108.14
Vapor Pressure0.17 mm Hg
log P (octanol-water)1.95
Henry's Law Constant6.19E-07 atm-m3/mole
pKa Dissociation Constant10.22
Atmospheric OH Rate Constant4.11E-11 cm3/molecule-sec
Water solubility9070 mg/L
CAS112-95-8
FormulaC20H42
Synonymn-Eicosane, icosane, n-Icosane, Eicosane, Didecyl, n-Eicosane, Icosane
Molecular weight282.55
InChI1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
CAS111-18-2
FormulaC10H24N2
SynonymHexamethylenebis(dimethylamine), N,N,N',N'-Tetramethyl-1,6-diaminohexane, N,N,N',N'-Tetramethyl-1,6-hexanediamine, N,N,N',N'-Tetramethylhexamethylenediamine, 1,6-Bis(dimethylamino)hexane, (CH3)2N(CH2)6N(CH3)2, 1,6-Bis(dimethylamino)hexane, 4-04-00-01322 (Beilstein Handbook Reference), AI3-26634, BRN 1738567, EC 203-842-9, EINECS 203-842-9, Hexamethylenebis(dimethylamine), Koolizer 1, Minico TMHD, N,N,N',N'-Tetramethyl-1,6-hexanediamine, N,N,N',N'-Tetramethylhexamethylene diamine, NIAX catalyst C-210, Toyocat MR, U 1000, U 1000 (amine), UNII-7D0T53S99V, 1,6-Hexanediamine, N,N,N',N'-tetramethyl-, 1,6-Hexanediamine, N1,N1,N6,N6-tetramethyl-, N,N,N',N'-Tetramethylhexamethylenediamine, N,N,N´,N´-Tetramethylhexanediamine, 1,6-Hexanediamine, N,N,N,N-tetramethyl-, N,N,N,N-Tetramethylhexamethylene diamine, N,N,N,N-Tetramethyl-1,6-hexanediamine, TMHDA
Molecular weight172.31
SMILESN(CCCCCCN(C)C)(C)C
InChI1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3
Boiling Point209.5 ° C
Atmospheric OH Rate Constant1.64E-10 cm3/molecule-sec
log P (octanol-water)1.700
CAS107-18-6
FormulaC3H6O
SynonymShell Unkrauttod A, prop-2-en-1-ol, CH2=CHCH2OH, 2-Propen-1-ol, Propenol Propen-1-ol-3, Vinyl carbinol, 2-Propenyl alcohol, Allylic alcohol, Alcool allylique, CCRIS 747, 2-Propenyl alcohol Vinylcarbinol, 3-Hydroxypropene, HSDB 192, Propenol-3, 1-Propenol-3, Caswell No. 026, UNII-3W678R12M0, EINECS 203-470-7, Vinylcarbinol, Allylalkohol, Allilowy alkohol [Polish], RCRA waste number P005, 2-Propene-1-ol, NSC 6526, Weed drench, Propenyl alcohol, UN1098, Allyl alcohol, EC 203-470-7, 1-Hydroxy-2-propene, Alcool allilco [Italian], Alcool allylique [French], 2-Propenol, 3-Hydroxy-1-propene, AA, Allyl al, Allilowy alkohol, Shell unkrautted A, Allylalkohol [German], 1-Propenol-3-ol, RCRA waste no. P005, Superlist Names 2-Propen-1-ol, Propen-1-ol-3, 2-propen-1-ol (allyl alcohol), 1-Propen-3-ol, AI3-14312, EPA Pesticide Chemical Code 068401, Allyl alcohol [UN1098] [Poison], Alcool allilco, UN 1098
Molecular weight58.08
SMILESC(CO)=C
InChI1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
Vapor Pressure26.1 mm Hg
Melting Point-1.29E+02 ° C
Atmospheric OH Rate Constant2.59E-11 cm3/molecule-sec
pKa Dissociation Constant15.5
Boiling Point97 ° C
Henry's Law Constant4.99E-06 atm-m3/mole
log P (octanol-water)0.17
Water solubility1.00E+06 mg/L
CAS108-55-4
FormulaC5H6O3
SynonymPentanedioic acid anhydride, Anhydrid kyseliny glutarove [Czech], UNII-63OFI15S80, NSC 16640, EC 203-593-6, Glutaric anhydride, EINECS 203-593-6, 2H-Pyran-2,6(3H)-dione, dihydro-, Pyroglutaric acid, AI3-06352, BRN 0110051, Pentanedioic anhydride, Glutaric acid anhydride, 5-17-11-00009 (Beilstein Handbook Reference), Anhydrid kyseliny glutarove, Dihydro-2H-pyran-2,6(3H)-dione
Molecular weight114.10
SMILESO1C(CCCC1=O)=O
InChI1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2
log P (octanol-water)1.300
Melting Point56.3 ° C
Boiling Point287 ° C
Henry's Law Constant2.09E-05 atm-m3/mole
Water solubility8150 mg/L
Atmospheric OH Rate Constant2.13E-12 cm3/molecule-sec
CAS117-08-8
FormulaC8Cl4O3
SynonymSuperlist Names Phthalic anhydride, tetrachloro-, EC 204-171-4, 4,5,6,7-Tetrachlorophthalic anhydride Tetrachlorphthalic anhydride, HSDB 2922, Tetrachlorophthalic anhydride, 3,4,5,6-Tetrachlorophthalic anhydride, TETRATHAL(R), UNII-76GLW0LBEK, 4,5,6,7-Tetrachloro-isobenzofuran-1,3-dione, CCRIS 6202, NCI-C61585, 4,5,6,7-TETRACHLORO-1,3-ISOBENZOFURANDIONE, Tetrachlorophthalic acid anhydride, AI3-09048, TETRACHLOROPHTHARIC ANHYDRIDE, 1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-, NSC 1484, CP 626, Tetrathal, Niagathal, TETRACHLORO-1,2-BENZENEDICARBOXYLIC ANHYDRIDE, 1,3-Dioxo-4,5,6,7-tetrachloroisobenzofuran, 5-17-11-00260 (Beilstein Handbook Reference), Phthalic anhydride, tetrachloro-, 1,3-Isobenzofurandione, tetrachloro-, NIATHAL, TCPA, EINECS 204-171-4, BRN 0211560, 1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran, Tetrachloro-1,2-benzenedicarboxylic acid anhydride
Atmospheric OH Rate Constant3.16E-14 cm3/molecule-sec
Flash Point362°C
BRN Number211560
Melting Point253-257 °C
Density1.49
Boiling Point371 °C
Water solubility0.8 mg/L (21 ºC)
Vapor Pressure0.16 mm Hg ( 145 °C)
StabilityStable. Reacts with water. Combustible. Incompatible with strong oxidizing agents. Air and moisture sensitive.
SensitiveMoisture Sensitive
Molecular weight285.90
EINECS204-171-4
SMILESc12c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)OC2=O
InChI1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
log P (octanol-water)4.650
Melting Point254.5 ° C
CAS2517-43-3
FormulaC5H12O2
Synonym3-Methoxybutanol, 3-Methoxy-1-butanol, Methoxybutanol, 1-Butanol,3-methoxy-, 1,3-butyleneglycol monomethyl ether, 1,3-Butylene glycol monomethyl ether, 1-Butanol, 3-methoxy-, 3-methoxybutan-1-ol, 1,3-Butanediol 3-methyl ether, 3-methoxy-1-butano, 3-METHOXY-N-BUTANOL, Butolether
Molecular weight104.15
EINECS219-741-8
SMILESC([C@@H](OC)C)CO
InChI1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3
Water solubility3.66E+05 mg/L
Henry's Law Constant7.38E-08 atm-m3/mole
Boiling Point157 ° C
Atmospheric OH Rate Constant2.36E-11 cm3/molecule-sec
log P (octanol-water).00E+00
Vapor Pressure1.620 mm Hg
Water solubilitySOLUBLE
Storage TemperatureFlammables area
Flash Point116 °F
Boiling Point161 °C
Melting Point-85 °C
Refractive Index1.416
Density0.928 g/mL at 25 °C
CAS526-75-0
FormulaC8H10O
Synonymo-3-Xylenol, VIC-O-XYLENOL, o-Xylenol, 3-Hydroxy-o-xylene, 1-Hydroxy-2,3-dimethylbenzene, DIMETHYLPHENOL,2,3-, 1,2,3-Xylenol, 1,2-Dimethyl-3-hydroxybenzene, 2,3-DIMETHYLPHENOL, 3-HYDROXYL-O-XYLENE, NSC 62011, Phenol, 2,3-dimethyl-, 2,3-Xylenol, 1,2-dimethyl-3-hydroxy-benzen
Molecular weight122.16
EINECS208-395-3
InChI1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
Henry's Law Constant7.38E-07 atm-m3/mole
pKa Dissociation Constant10.544
Water solubility4570 mg/L
Atmospheric OH Rate Constant8.02E-11 cm3/molecule-sec
Boiling Point216.9 ° C
Melting Point72.8 ° C
log P (octanol-water)2.48
Merck14,10082
BRN Number1906267
Boiling Point217 °C
Melting Point70-73 °C
Flash Point95 °C
Density1.02~1.03
Vapor Density4.23
Water solubilityslightly soluble
CAS110-63-4
FormulaC4H10O2
SynonymNSC 406696, 1,4-BDO, Sucol B, 1,4-BUTYLENE GLYCOL, Dabco BDO, Diol 14B, TETRAMETHYLENE GLYCOL, Butane-1,4-diol, Tetramethylene 1,4-diol, BDO, butane diol-1,4, Butylene glycol, 1,4-Butanediol, butanediol, 1,4-BD, 1,4-Tetramethylene glycol, VERSALINK CURATIVE 1,4 BDO, 1,4-Dihydroxybutane, BUTANEDIOL, 1,4-, AKOS BBS-00004303, Butane-1,4-diol 1,4-Butylene glycol
Molecular weight90.12
EINECS203-786-5
InChI1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
pKa Dissociation Constant14.5
Henry's Law Constant1.30E-09 atm-m3/mole
Melting Point20.1 ° C
Boiling Point235 ° C
log P (octanol-water)-0.83
Vapor Pressure0.0105 mm Hg
Water solubility1.00E+06 mg/L
Atmospheric OH Rate Constant1.11E-11 cm3/molecule-sec
Boiling Point230 °C
BRN Number1633445
Water solubilityMiscible
Flash Point135 °C
Refractive Index1.445
Storage Temperature2-8°C
Density1.017 g/mL at 25 °C
Melting Point20 °C
StabilityStable. Combustible. Incompatible with strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides.
SensitiveHygroscopic
Vapor Density3.1
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