1.0 2010-04-08 22:11:45 UTC 2015-07-20 23:16:08 UTC FDB015268 3-Phenylpropyl hexanoate Flavouring ingredient 3-Phenylpropyl hexanoate Hexanoic acid, 3-phenylpropyl ester C15H22O2 234.334 234.161979948 3-phenylpropyl hexanoate 3-phenylpropyl hexanoate 6281-40-9 CCCCCC(=O)OCCCC1=CC=CC=C1 InChI=1S/C15H22O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-7,9-10H,2-3,5,8,11-13H2,1H3 RSOGLEKUVSFLMO-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 4.92 ALOGPS logs -4.98 ALOGPS solubility 2.44e-03 g/l ALOGPS logp 4.41 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-phenylpropyl hexanoate ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles CCCCCC(=O)OCCCC1=CC=CC=C1 ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-7,9-10H,2-3,5,8,11-13H2,1H3 ChemAxon inchikey RSOGLEKUVSFLMO-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 69.81 ChemAxon polarizability 28.38 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25000 Specdb::CMs 28570 Specdb::CMs 101818 Specdb::CMs 132390 Specdb::CMs 140124 Specdb::MsMs 69027 Specdb::MsMs 69028 Specdb::MsMs 69029 Specdb::MsMs 127209 Specdb::MsMs 127210 Specdb::MsMs 127211 Specdb::MsMs 3035030 Specdb::MsMs 3035031 Specdb::MsMs 3035032 Specdb::MsMs 3104510 Specdb::MsMs 3104511 Specdb::MsMs 3104512 HMDB36390 #<Reference:0x000055ce3324f5c0> fruity green sweet