1.0 2010-04-08 22:07:54 UTC 2015-07-20 22:17:57 UTC FDB008069 (±)-1,5-Hexanediol (±)-1,5-Hexanediol is a food additive (±)-1,5-Hexanediol belongs to the family of Fatty Alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms (Do not have to bear a carboxylic acid group)[1]. (Reference: [1] Fatty Alcohols: http://en.wikipedia.org/wiki/Fatty_alcohol). C6H14O2 118.1742 118.099379692 hexane-1,5-diol 2,6-dihydroxyhexane CC(O)CCCCO InChI=1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3 UNVGBIALRHLALK-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Secondary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol logp 0.37 ALOGPS logs 0.13 ALOGPS solubility 1.59e+02 g/l ALOGPS logp 0.23 ChemAxon pka_strongest_acidic 16.84 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac hexane-1,5-diol ChemAxon average_mass 118.1742 ChemAxon mono_mass 118.099379692 ChemAxon smiles CC(O)CCCCO ChemAxon formula C6H14O2 ChemAxon inchi InChI=1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3 ChemAxon inchikey UNVGBIALRHLALK-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 33.08 ChemAxon polarizability 14.08 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4512 Specdb::MsIr 4513 Specdb::MsIr 4514 Specdb::CMs 17333 Specdb::CMs 42503 Specdb::CMs 132769 Specdb::CMs 140503 Specdb::MsMs 79668 Specdb::MsMs 79669 Specdb::MsMs 79670 Specdb::MsMs 140316 Specdb::MsMs 140317 Specdb::MsMs 140318 Specdb::MsMs 2824537 Specdb::MsMs 2824538 Specdb::MsMs 2824539 Specdb::MsMs 2853862 Specdb::MsMs 2853863 Specdb::MsMs 2853864 HMDB31490 #<Reference:0x000055ce30f33050>