1.0 2010-04-08 22:14:38 UTC 2018-05-28 19:55:11 UTC FDB019856 3-Methylthiohexanol Flavouring ingredient 3-(Methylthio)-1-hexanol 3-Methylthiohexanol FEMA 3438 R-3-(methylthio)-1-Hexanol C7H16OS 148.266 148.092185824 3-(methylsulfanyl)hexan-1-ol 3-(methylsulfanyl)hexan-1-ol 90180-89-5 CCCC(CCO)SC InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3 JSASXSHMJYRPCM-UHFFFAOYSA-N belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. Dialkylthioethers Organic compounds Organosulfur compounds Thioethers Dialkylthioethers Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Sulfenyl compounds Alcohol Aliphatic acyclic compound Dialkylthioether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Sulfenyl compound logp 2.41 ALOGPS logs -2.30 ALOGPS solubility 7.36e-01 g/l ALOGPS logp 1.77 ChemAxon pka_strongest_acidic 15.94 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 3-(methylsulfanyl)hexan-1-ol ChemAxon average_mass 148.266 ChemAxon mono_mass 148.092185824 ChemAxon smiles CCCC(CCO)SC ChemAxon formula C7H16OS ChemAxon inchi InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3 ChemAxon inchikey JSASXSHMJYRPCM-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 43.69 ChemAxon polarizability 17.8 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8704 Specdb::MsIr 8705 Specdb::MsIr 8706 Specdb::CMs 16245 Specdb::CMs 29275 Specdb::CMs 46691 Specdb::CMs 102043 Specdb::CMs 170550 Specdb::MsMs 59343 Specdb::MsMs 59344 Specdb::MsMs 59345 Specdb::MsMs 115461 Specdb::MsMs 115462 Specdb::MsMs 115463 Specdb::MsMs 2321140 Specdb::MsMs 2321141 Specdb::MsMs 2321142 Specdb::MsMs 2614432 Specdb::MsMs 2614433 Specdb::MsMs 2614434 HMDB40153 #<Reference:0x000055ce330593d8> green leafy melon metallic pepper sulfurous vegetable