1.0 2010-04-08 22:08:42 UTC 2018-05-28 23:24:41 UTC FDB009605 2-Hydroxy-5-methyl-3-hexanone It is used as a food additive . C7H14O2 130.187 130.099379691 2-hydroxy-5-methylhexan-3-one 2-hydroxy-5-methylhexan-3-one 246511-74-0 CC(C)CC(=O)C(C)O InChI=1S/C7H14O2/c1-5(2)4-7(9)6(3)8/h5-6,8H,4H2,1-3H3 OYUBDGVWESFPBQ-UHFFFAOYSA-N belongs to the class of organic compounds known as acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups. Acyloins Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Alpha-hydroxy ketones Hydrocarbon derivatives Organic oxides Secondary alcohols Acyloin Alcohol Aliphatic acyclic compound Alpha-hydroxy ketone Hydrocarbon derivative Ketone Organic oxide Secondary alcohol logp 0.67 ALOGPS logs -0.40 ALOGPS solubility 5.21e+01 g/l ALOGPS logp 1.29 ChemAxon pka_strongest_acidic 13.71 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-5-methylhexan-3-one ChemAxon average_mass 130.187 ChemAxon mono_mass 130.099379691 ChemAxon smiles CC(C)CC(=O)C(C)O ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-5(2)4-7(9)6(3)8/h5-6,8H,4H2,1-3H3 ChemAxon inchikey OYUBDGVWESFPBQ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 36.17 ChemAxon polarizability 14.73 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 99108 Specdb::MsMs 99109 Specdb::MsMs 99110 Specdb::MsMs 164196 Specdb::MsMs 164197 Specdb::MsMs 164198 Specdb::MsMs 3604975 Specdb::MsMs 3604976 Specdb::MsMs 3604977 Specdb::MsMs 3606152 Specdb::MsMs 3606153 Specdb::MsMs 3606154 chocolate sweet