1.0 2010-04-08 22:12:22 UTC 2015-07-20 23:28:39 UTC FDB016314 3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol Flavour ingredient for roast meat, poultry, soups and baked goods 2-Butanol, 3-((2-mercapto-1-methylpropyl)thio)- 3-((2-Mercapto-1-methylpropyl)thio)-2-butanol a-Methyl-b-mercaptopropyl-a'-methyl-b'-hydroxypropyl sulfide FEMA 3509 C8H18OS2 194.358 194.079906578 3-[(3-sulfanylbutan-2-yl)sulfanyl]butan-2-ol 3-[(3-sulfanylbutan-2-yl)sulfanyl]butan-2-ol 54957-02-7 CC(O)C(C)SC(C)C(C)S InChI=1S/C8H18OS2/c1-5(9)7(3)11-8(4)6(2)10/h5-10H,1-4H3 PHLKBLKTWMSFGF-UHFFFAOYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Alkylthiols Dialkylthioethers Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Alkylthiol Dialkylthioether Hydrocarbon derivative Organosulfur compound Secondary alcohol Sulfenyl compound Thioether logp 2.35 ALOGPS logs -3.09 ALOGPS solubility 1.58e-01 g/l ALOGPS logp 2.01 ChemAxon pka_strongest_acidic 9.98 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-[(3-sulfanylbutan-2-yl)sulfanyl]butan-2-ol ChemAxon average_mass 194.358 ChemAxon mono_mass 194.079906578 ChemAxon smiles CC(O)C(C)SC(C)C(C)S ChemAxon formula C8H18OS2 ChemAxon inchi InChI=1S/C8H18OS2/c1-5(9)7(3)11-8(4)6(2)10/h5-10H,1-4H3 ChemAxon inchikey PHLKBLKTWMSFGF-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 55.66 ChemAxon polarizability 22.49 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21091 Specdb::CMs 45299 Specdb::CMs 169664 Specdb::MsMs 62886 Specdb::MsMs 62887 Specdb::MsMs 62888 Specdb::MsMs 119709 Specdb::MsMs 119710 Specdb::MsMs 119711 Specdb::MsMs 2288097 Specdb::MsMs 2288098 Specdb::MsMs 2288099 Specdb::MsMs 2646972 Specdb::MsMs 2646973 Specdb::MsMs 2646974 HMDB37295 #<Reference:0x000055ce330cae20> burnt fatty meaty roasted sulfurous