1.02010-04-08 22:11:06 UTC2015-07-20 23:05:19 UTCFDB014142(±)-5-Hydroxy-4-octanoneFlavouring agentC8H16O2144.2114144.1150297565-hydroxyoctan-4-one5-hydroxyoctan-4-one116296-89-0CCCC(O)C(=O)CCCInChI=1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3BVEYJWQCMOVMAR-UHFFFAOYSA-N belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.MonosaccharidesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugatesAliphatic acyclic compoundsAcyloinsAlpha-hydroxy ketonesHydrocarbon derivativesOrganic oxidesSecondary alcoholsAcyloinAlcoholAliphatic acyclic compoundAlpha-hydroxy ketoneCarbonyl groupHydrocarbon derivativeKetoneMonosaccharideOrganic oxideSecondary alcohollogp1.43logs-0.89solubility1.86e+01 g/llogp1.97pka_strongest_acidic13.41pka_strongest_basic-3.5iupac5-hydroxyoctan-4-oneaverage_mass144.2114mono_mass144.115029756smilesCCCC(O)C(=O)CCCformulaC8H16O2inchiInChI=1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3inchikeyBVEYJWQCMOVMAR-UHFFFAOYSA-Npolar_surface_area37.3refractivity40.74polarizability17.1rotatable_bond_count5acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::CMs10726Specdb::CMs44396Specdb::CMs130422Specdb::CMs138156Specdb::MsIr6934Specdb::MsIr6935Specdb::MsIr6936Specdb::MsMs57345Specdb::MsMs57346Specdb::MsMs57347Specdb::MsMs112998Specdb::MsMs112999Specdb::MsMs113000Specdb::MsMs2685915Specdb::MsMs2685916Specdb::MsMs2685917Specdb::MsMs2992223Specdb::MsMs2992224Specdb::MsMs2992225Specdb::NmrOneD131658Specdb::NmrOneD131659Specdb::NmrOneD131660Specdb::NmrOneD131661Specdb::NmrOneD131662Specdb::NmrOneD131663Specdb::NmrOneD131664Specdb::NmrOneD131665Specdb::NmrOneD131666Specdb::NmrOneD131667Specdb::NmrOneD131668Specdb::NmrOneD131669Specdb::NmrOneD131670Specdb::NmrOneD131671Specdb::NmrOneD131672Specdb::NmrOneD131673Specdb::NmrOneD131674Specdb::NmrOneD131675Specdb::NmrOneD131676Specdb::NmrOneD131677HMDB35457#<Reference:0x000055567586d7a8>