1.0 2010-04-08 22:04:56 UTC 2015-07-20 21:40:06 UTC FDB001368 Methyl 3-phenylpropanoate Flavouring ingredient Benzenepropanoic acid, methyl ester beta -Phenylpropionic acid methyl ester beta-Phenylpropionic acid methyl ester Dihydromethyl cinnamate FEMA 2741 Hydrocinnamic acid, methyl ester Hydrocinnamic acid, methyl ester (8ci) Methyl (3-phenyi) propanoate Methyl 3-phenylpropanoate Methyl 3-phenylpropionate Methyl benzenepropanoate Methyl beta -phenylpropionate Methyl beta-phenylpropionate Methyl dihydrocinnamate Methyl esterof beta -phenylpropionic acid Methyl hydrocinnamate Methyl phenylpropionate C10H12O2 164.2011 164.083729628 methyl 3-phenylpropanoate methyl B-phenylpropionate 103-25-3 COC(=O)CCC1=CC=CC=C1 InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 RPUSRLKKXPQSGP-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 Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Liquid logp 2.35 ALOGPS logs -2.87 ALOGPS solubility 2.24e-01 g/l ALOGPS logp 2.2 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl 3-phenylpropanoate ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles COC(=O)CCC1=CC=CC=C1 ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 ChemAxon inchikey RPUSRLKKXPQSGP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 46.74 ChemAxon polarizability 18.14 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25965 Specdb::CMs 27213 Specdb::CMs 27363 Specdb::CMs 29060 Specdb::CMs 29158 Specdb::CMs 29636 Specdb::CMs 100513 Specdb::CMs 100514 Specdb::CMs 100515 Specdb::CMs 100516 Specdb::CMs 100517 Specdb::CMs 155382 Specdb::MsIr 3817 Specdb::MsIr 3818 Specdb::MsMs 12836 Specdb::MsMs 12837 Specdb::MsMs 12838 Specdb::MsMs 19508 Specdb::MsMs 19509 Specdb::MsMs 19510 Specdb::MsMs 2831809 Specdb::MsMs 2831810 Specdb::MsMs 2831811 Specdb::MsMs 2849845 Specdb::MsMs 2849846 Specdb::MsMs 2849847 HMDB30060 #<Reference:0x000055ce2f229720> balsam floral fruity honey wine