1.0 2010-04-08 22:10:49 UTC 2015-07-20 23:00:57 UTC FDB013619 2-Phenylethyl butanoate Food flavouring &beta;-phenethyl n-butanoate &beta;-phenylethyl butyrate &beta;-phenylethyl n-butyrate 2-Phenethyl butanoate 2-Phenylethyl butanoate 2-Phenylethyl butyrate Benzylcarbinyl butyrate beta -Phenethyl N-butanoate beta -Phenylethyl butyrate beta -Phenylethyl N-butyrate Beta-phenethyl n-butanoate Beta-phenylethyl butyrate Butanoic acid, 2-phenylethyl ester Butyric acid, phenethyl ester FEMA 2861 Phenethyl butanoate Phenethyl butyrate Phenylethyl butyrate C12H16O2 192.2542 192.115029756 2-phenylethyl butanoate 2-phenylethyl butanoate 103-52-6 CCCC(=O)OCCC1=CC=CC=C1 InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 WFNDDSQUKATKNX-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 butyrate ester logp 3.26 ALOGPS logs -3.66 ALOGPS solubility 4.16e-02 g/l ALOGPS logp 3.08 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-phenylethyl butanoate ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CCCC(=O)OCCC1=CC=CC=C1 ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 ChemAxon inchikey WFNDDSQUKATKNX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.01 ChemAxon polarizability 22.05 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 63447 Specdb::MsMs 63448 Specdb::MsMs 63449 Specdb::MsMs 120405 Specdb::MsMs 120406 Specdb::MsMs 120407 Specdb::MsMs 2468746 Specdb::MsMs 2468747 Specdb::MsMs 2468748 Specdb::MsMs 2492834 Specdb::MsMs 2492835 Specdb::MsMs 2492836 Specdb::CMs 3135 Specdb::CMs 28299 Specdb::CMs 101683 Specdb::CMs 130918 Specdb::CMs 138652 Specdb::MsIr 6774 Specdb::MsIr 6775 HMDB35014 #<Reference:0x000055ce322052f0> floral musty strawberry sweet yeast