1.0 2011-09-26 22:53:51 UTC 2015-07-21 07:00:04 UTC FDB029662 ethyl 4-hydroxybutanoate Flavouring compound [Flavornet] C6H12O3 132.1577 132.07864425 ethyl 4-hydroxybutanoate ethyl 4-hydroxybutanoate 999-10-0 CCOC(=O)CCCO InChI=1S/C6H12O3/c1-2-9-6(8)4-3-5-7/h7H,2-5H2,1H3 AYPJVXQBVHCUCJ-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol logp 0.43 ALOGPS logs 0.22 ALOGPS solubility 2.20e+02 g/l ALOGPS logp -0.012 ChemAxon pka_strongest_acidic 15.95 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac ethyl 4-hydroxybutanoate ChemAxon average_mass 132.1577 ChemAxon mono_mass 132.07864425 ChemAxon smiles CCOC(=O)CCCO ChemAxon formula C6H12O3 ChemAxon inchi InChI=1S/C6H12O3/c1-2-9-6(8)4-3-5-7/h7H,2-5H2,1H3 ChemAxon inchikey AYPJVXQBVHCUCJ-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 33.32 ChemAxon polarizability 14.25 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2487 Specdb::NmrOneD 344188 Specdb::NmrOneD 344189 Specdb::NmrOneD 344190 Specdb::NmrOneD 344191 Specdb::NmrOneD 344192 Specdb::NmrOneD 344193 Specdb::NmrOneD 344194 Specdb::NmrOneD 344195 Specdb::NmrOneD 344196 Specdb::NmrOneD 344197 Specdb::NmrOneD 344198 Specdb::NmrOneD 344199 Specdb::NmrOneD 344200 Specdb::NmrOneD 344201 Specdb::NmrOneD 344202 Specdb::NmrOneD 344203 Specdb::NmrOneD 344204 Specdb::NmrOneD 344205 Specdb::NmrOneD 344206 Specdb::NmrOneD 344207 Specdb::MsMs 180579 Specdb::MsMs 180580 Specdb::MsMs 180581 Specdb::MsMs 3607087 Specdb::MsMs 3607088 Specdb::MsMs 3607089 Specdb::MsMs 178263 Specdb::MsMs 178264 Specdb::MsMs 178265 Specdb::MsMs 3607084 Specdb::MsMs 3607085 Specdb::MsMs 3607086 caramel