1.02010-04-08 22:14:49 UTC2015-07-21 06:42:48 UTCFDB020141Ethyl (±)-3-hydroxybutyrateFlavouring ingredientEthyl (±)-3-hydroxybutyrateEthyl 3-hydroxybutyrateFEMA 3428C6H12O3132.1577132.07864425ethyl 3-hydroxybutanoateethyl 3-hydroxybutanoate35608-64-1CCOC(=O)CC(C)OInChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3OMSUIQOIVADKIM-UHFFFAOYSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.Beta hydroxy acids and derivativesOrganic compoundsOrganic acids and derivativesHydroxy acids and derivativesBeta hydroxy acids and derivativesAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersFatty acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesSecondary alcoholsAlcoholAliphatic acyclic compoundBeta-hydroxy acidCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterFatty acylHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundSecondary alcoholfatty acid ethyl esterlogp0.39logs0.35solubility2.99e+02 g/llogp0.12pka_strongest_acidic15.41pka_strongest_basic-2.6iupacethyl 3-hydroxybutanoateaverage_mass132.1577mono_mass132.07864425smilesCCOC(=O)CC(C)OformulaC6H12O3inchiInChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3inchikeyOMSUIQOIVADKIM-UHFFFAOYSA-Npolar_surface_area46.53refractivity32.98polarizability14.02rotatable_bond_count4acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::NmrOneD249088Specdb::NmrOneD249089Specdb::NmrOneD249090Specdb::NmrOneD249091Specdb::NmrOneD249092Specdb::NmrOneD249093Specdb::NmrOneD249094Specdb::NmrOneD249095Specdb::NmrOneD249096Specdb::NmrOneD249097Specdb::NmrOneD249098Specdb::NmrOneD249099Specdb::NmrOneD249100Specdb::NmrOneD249101Specdb::NmrOneD249102Specdb::NmrOneD249103Specdb::NmrOneD249104Specdb::NmrOneD249105Specdb::NmrOneD249106Specdb::NmrOneD249107Specdb::CMs3110Specdb::CMs27928Specdb::CMs46767Specdb::CMs102128Specdb::CMs131051Specdb::CMs138785Specdb::MsIr8939Specdb::MsIr8940Specdb::MsIr8941Specdb::MsMs62799Specdb::MsMs62800Specdb::MsMs62801Specdb::MsMs119601Specdb::MsMs119602Specdb::MsMs119603Specdb::MsMs2777435Specdb::MsMs2777436Specdb::MsMs2777437Specdb::MsMs2901000Specdb::MsMs2901001Specdb::MsMs2901002HMDB40409#<Reference:0x0000555675d96b30>