1.0 2010-04-08 22:08:42 UTC 2025-11-18 23:17:00 UTC FDB009604 3-Hydroxy-5-methyl-2-hexanone It is used as a food additive . C7H14O2 130.187 130.099379691 3-hydroxy-5-methylhexan-2-one 3-hydroxy-5-methylhexan-2-one 163038-04-8 CC(C)CC(O)C(C)=O InChI=1S/C7H14O2/c1-5(2)4-7(9)6(3)8/h5,7,9H,4H2,1-3H3 LZDPYURTPRCDJG-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 0.64 ALOGPS logs -0.46 ALOGPS solubility 4.52e+01 g/l ALOGPS logp 1.11 ChemAxon pka_strongest_acidic 13.41 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 3-hydroxy-5-methylhexan-2-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/h5,7,9H,4H2,1-3H3 ChemAxon inchikey LZDPYURTPRCDJG-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 36.06 ChemAxon polarizability 14.91 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 91038 Specdb::MsMs 91039 Specdb::MsMs 91040 Specdb::MsMs 154335 Specdb::MsMs 154336 Specdb::MsMs 154337 Specdb::MsMs 3604969 Specdb::MsMs 3604970 Specdb::MsMs 3604971 Specdb::MsMs 3604972 Specdb::MsMs 3604973 Specdb::MsMs 3604974 cheesy milky sour