1.0 2010-04-08 22:08:00 UTC 2015-07-20 22:20:17 UTC FDB008256 Ethyl 4-phenylbutanoate Flavouring ingredient Butyric acid, 4-phenyl-, ethyl ester Ethyl 4-phenylbutanoate Ethyl 4-phenylbutyrate Ethyl benzenebutanoate Ethyl gamma-phenylbutyrate FEMA 2453 C12H16O2 192.2542 192.115029756 ethyl 4-phenylbutanoate ethyl 4-phenylbutanoate 10031-93-3 CCOC(=O)CCCC1=CC=CC=C1 InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 GGFNXKFGVQQNRV-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 Aromatic homomonocyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 3.26 ALOGPS logs -3.72 ALOGPS solubility 3.67e-02 g/l ALOGPS logp 3 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl 4-phenylbutanoate ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CCOC(=O)CCCC1=CC=CC=C1 ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 ChemAxon inchikey GGFNXKFGVQQNRV-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.09 ChemAxon polarizability 22.22 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16045 Specdb::CMs 161365 Specdb::MsIr 4740 Specdb::MsIr 4741 Specdb::MsMs 91206 Specdb::MsMs 91207 Specdb::MsMs 91208 Specdb::MsMs 154545 Specdb::MsMs 154546 Specdb::MsMs 154547 Specdb::MsMs 2789110 Specdb::MsMs 2789111 Specdb::MsMs 2789112 Specdb::MsMs 2920600 Specdb::MsMs 2920601 Specdb::MsMs 2920602 HMDB31618 #<Reference:0x000055ce327ac6e0> fruity plum sweet