1.0 2010-04-08 22:08:42 UTC 2018-05-28 23:24:43 UTC FDB009608 3-Hydroxy-2-octanone It is used as a food additive . 2-octanon-3-ol 3-hydroxyoctan-2-one C8H16O2 144.2114 144.115029756 3-hydroxyoctan-2-one 3-hydroxyoctan-2-one 37160-77-3 CCCCCC(O)C(C)=O InChI=1S/C8H16O2/c1-3-4-5-6-8(10)7(2)9/h8,10H,3-6H2,1-2H3 QWEHQNZGVUHHME-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 Acyloins Alpha-hydroxy ketones Hydrocarbon derivatives Monosaccharides Organic oxides Secondary alcohols Acyloin Alcohol Aliphatic acyclic compound Alpha-hydroxy ketone Carbonyl group Fatty alcohol Hydrocarbon derivative Ketone Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Oxygenated hydrocarbons logp 1.46 ALOGPS logs -1.12 ALOGPS solubility 1.10e+01 g/l ALOGPS logp 1.71 ChemAxon pka_strongest_acidic 13.42 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 3-hydroxyoctan-2-one ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCCCCC(O)C(C)=O ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-3-4-5-6-8(10)7(2)9/h8,10H,3-6H2,1-2H3 ChemAxon inchikey QWEHQNZGVUHHME-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 40.72 ChemAxon polarizability 17.23 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5295 Specdb::MsIr 5296 Specdb::MsIr 5297 Specdb::CMs 19083 Specdb::CMs 42811 Specdb::CMs 167754 Specdb::NmrOneD 112838 Specdb::NmrOneD 112839 Specdb::NmrOneD 112840 Specdb::NmrOneD 112841 Specdb::NmrOneD 112842 Specdb::NmrOneD 112843 Specdb::NmrOneD 112844 Specdb::NmrOneD 112845 Specdb::NmrOneD 112846 Specdb::NmrOneD 112847 Specdb::NmrOneD 112848 Specdb::NmrOneD 112849 Specdb::NmrOneD 112850 Specdb::NmrOneD 112851 Specdb::NmrOneD 112852 Specdb::NmrOneD 112853 Specdb::NmrOneD 112854 Specdb::NmrOneD 112855 Specdb::NmrOneD 112856 Specdb::NmrOneD 112857 Specdb::MsMs 10979 Specdb::MsMs 10980 Specdb::MsMs 10981 Specdb::MsMs 17651 Specdb::MsMs 17652 Specdb::MsMs 17653 Specdb::MsMs 2767742 Specdb::MsMs 2767743 Specdb::MsMs 2767744 Specdb::MsMs 2911232 Specdb::MsMs 2911233 Specdb::MsMs 2911234 HMDB32335 #<Reference:0x000055ce324c12f0> brown nutty