1.0 2010-04-08 22:12:41 UTC 2019-11-26 03:13:51 UTC FDB016847 2-Phenylethyl hexanoate Found in alcoholic drinks, fruit juices and other natural sources. Food flavour 2-Phenethyl hexanoate 2-Phenylethyl caproate 2-Phenylethyl hexanoate Benzylcarbinyl caproate Benzylcarbinyl hexanoate FEMA 3221 Hexanoic acid, 2-phenylethyl ester Hexanoic acid, phenethyl ester Phenethyl caproate Phenethyl hexanoate Phenylethyl caproate Phenylethyl hexanoate Phenylethyl n-hexanoate C14H20O2 220.3074 220.146329884 2-phenylethyl hexanoate 2-phenylethyl hexanoate 6290-37-5 CCCCCC(=O)OCCC1=CC=CC=C1 InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3 BUYNWUMUDHPPDS-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 4.44 ALOGPS logs -4.48 ALOGPS solubility 7.25e-03 g/l ALOGPS logp 3.97 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-phenylethyl hexanoate ChemAxon average_mass 220.3074 ChemAxon mono_mass 220.146329884 ChemAxon smiles CCCCCC(=O)OCCC1=CC=CC=C1 ChemAxon formula C14H20O2 ChemAxon inchi InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3 ChemAxon inchikey BUYNWUMUDHPPDS-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 65.21 ChemAxon polarizability 26.25 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2627 Specdb::CMs 28569 Specdb::CMs 101889 Specdb::CMs 136861 Specdb::CMs 144595 Specdb::MsMs 61047 Specdb::MsMs 61048 Specdb::MsMs 61049 Specdb::MsMs 117513 Specdb::MsMs 117514 Specdb::MsMs 117515 Specdb::MsMs 2395404 Specdb::MsMs 2395405 Specdb::MsMs 2395406 Specdb::MsMs 2540780 Specdb::MsMs 2540781 Specdb::MsMs 2540782 HMDB37718 #<Reference:0x00007f093c0e86d8> Alcoholic beverages Unknown generic Citrus Unknown generic Fruits Unknown generic banana floral green honey pineapple sweaty sweet waxy woody