1.0 2010-04-08 22:05:57 UTC 2025-11-18 22:53:58 UTC FDB003804 Methyl-beta-hydroxybutyrate Methyl 3-hydroxybutyrate belongs to beta hydroxy acids and derivatives class of compounds. Those are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Thus, methyl 3-hydroxybutyrate is considered to be a fatty ester lipid molecule. Methyl 3-hydroxybutyrate is soluble (in water) and an extremely weak acidic compound (based on its pKa). Methyl 3-hydroxybutyrate has a mild and apple taste. C5H10O3 118.132 118.062994182 methyl 3-hydroxybutanoate methyl 3-hydroxybutyrate 1487-49-6 COC(=O)CC(C)O InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3 LDLDJEAVRNAEBW-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 Fatty acid methyl esters Hydrocarbon derivatives Methyl esters 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 acid methyl ester Fatty acyl Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Wax monoesters logp -0.08 ALOGPS logs 0.63 ALOGPS solubility 5.00e+02 g/l ALOGPS logp -0.24 ChemAxon pka_strongest_acidic 15.41 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac methyl 3-hydroxybutanoate ChemAxon average_mass 118.132 ChemAxon mono_mass 118.062994182 ChemAxon smiles COC(=O)CC(C)O ChemAxon formula C5H10O3 ChemAxon inchi InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3 ChemAxon inchikey LDLDJEAVRNAEBW-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 28.23 ChemAxon polarizability 12.07 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25798 Specdb::CMs 47409 Specdb::CMs 136569 Specdb::CMs 144303 Specdb::MsIr 9327 Specdb::MsIr 9328 Specdb::MsIr 9329 Specdb::MsMs 103110 Specdb::MsMs 103111 Specdb::MsMs 103112 Specdb::MsMs 169059 Specdb::MsMs 169060 Specdb::MsMs 169061 Specdb::MsMs 2803195 Specdb::MsMs 2803196 Specdb::MsMs 2803197 Specdb::MsMs 2879627 Specdb::MsMs 2879628 Specdb::MsMs 2879629 Specdb::NmrOneD 47862 Specdb::NmrOneD 47863 Specdb::NmrOneD 47864 Specdb::NmrOneD 47865 Specdb::NmrOneD 47866 Specdb::NmrOneD 47867 Specdb::NmrOneD 47868 Specdb::NmrOneD 47869 Specdb::NmrOneD 47870 Specdb::NmrOneD 47871 Specdb::NmrOneD 47872 Specdb::NmrOneD 47873 Specdb::NmrOneD 47874 Specdb::NmrOneD 47875 Specdb::NmrOneD 47876 Specdb::NmrOneD 47877 Specdb::NmrOneD 47878 Specdb::NmrOneD 47879 Specdb::NmrOneD 47880 Specdb::NmrOneD 47881 HMDB0041603 Pineapple Type 1 specific Ananas comosus 4615 0.0006 0.0006 0.0006 mg/100 g