1.0 2010-04-08 22:14:49 UTC 2015-07-21 06:42:48 UTC FDB020141 Ethyl (±)-3-hydroxybutyrate Flavouring ingredient Ethyl (±)-3-hydroxybutyrate Ethyl 3-hydroxybutyrate FEMA 3428 C6H12O3 132.1577 132.07864425 ethyl 3-hydroxybutanoate ethyl 3-hydroxybutanoate 35608-64-1 CCOC(=O)CC(C)O InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3 OMSUIQOIVADKIM-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 derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol fatty acid ethyl ester logp 0.39 ALOGPS logs 0.35 ALOGPS solubility 2.99e+02 g/l ALOGPS logp 0.12 ChemAxon pka_strongest_acidic 15.41 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac ethyl 3-hydroxybutanoate ChemAxon average_mass 132.1577 ChemAxon mono_mass 132.07864425 ChemAxon smiles CCOC(=O)CC(C)O ChemAxon formula C6H12O3 ChemAxon inchi InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3 ChemAxon inchikey OMSUIQOIVADKIM-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 32.98 ChemAxon polarizability 14.02 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8939 Specdb::MsIr 8940 Specdb::MsIr 8941 Specdb::CMs 3110 Specdb::CMs 27928 Specdb::CMs 46767 Specdb::CMs 102128 Specdb::CMs 131051 Specdb::CMs 138785 Specdb::MsMs 62799 Specdb::MsMs 62800 Specdb::MsMs 62801 Specdb::MsMs 119601 Specdb::MsMs 119602 Specdb::MsMs 119603 Specdb::MsMs 2777435 Specdb::MsMs 2777436 Specdb::MsMs 2777437 Specdb::MsMs 2901000 Specdb::MsMs 2901001 Specdb::MsMs 2901002 Specdb::NmrOneD 249088 Specdb::NmrOneD 249089 Specdb::NmrOneD 249090 Specdb::NmrOneD 249091 Specdb::NmrOneD 249092 Specdb::NmrOneD 249093 Specdb::NmrOneD 249094 Specdb::NmrOneD 249095 Specdb::NmrOneD 249096 Specdb::NmrOneD 249097 Specdb::NmrOneD 249098 Specdb::NmrOneD 249099 Specdb::NmrOneD 249100 Specdb::NmrOneD 249101 Specdb::NmrOneD 249102 Specdb::NmrOneD 249103 Specdb::NmrOneD 249104 Specdb::NmrOneD 249105 Specdb::NmrOneD 249106 Specdb::NmrOneD 249107 HMDB40409 #<Reference:0x000055ce321991b8>