1.02010-04-08 22:08:42 UTC2018-05-28 23:24:41 UTCFDB0096052-Hydroxy-5-methyl-3-hexanoneIt is used as a food additive .C7H14O2130.187130.0993796912-hydroxy-5-methylhexan-3-one2-hydroxy-5-methylhexan-3-one246511-74-0CC(C)CC(=O)C(C)OInChI=1S/C7H14O2/c1-5(2)4-7(9)6(3)8/h5-6,8H,4H2,1-3H3OYUBDGVWESFPBQ-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.AcyloinsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsAlpha-hydroxy ketonesHydrocarbon derivativesOrganic oxidesSecondary alcoholsAcyloinAlcoholAliphatic acyclic compoundAlpha-hydroxy ketoneHydrocarbon derivativeKetoneOrganic oxideSecondary alcohollogp0.67logs-0.40solubility5.21e+01 g/llogp1.29pka_strongest_acidic13.71pka_strongest_basic-3.4iupac2-hydroxy-5-methylhexan-3-oneaverage_mass130.187mono_mass130.099379691smilesCC(C)CC(=O)C(C)OformulaC7H14O2inchiInChI=1S/C7H14O2/c1-5(2)4-7(9)6(3)8/h5-6,8H,4H2,1-3H3inchikeyOYUBDGVWESFPBQ-UHFFFAOYSA-Npolar_surface_area37.3refractivity36.17polarizability14.73rotatable_bond_count3acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::MsMs99108Specdb::MsMs99109Specdb::MsMs99110Specdb::MsMs164196Specdb::MsMs164197Specdb::MsMs164198Specdb::MsMs3604975Specdb::MsMs3604976Specdb::MsMs3604977Specdb::MsMs3606152Specdb::MsMs3606153Specdb::MsMs3606154chocolatesweet