1.0 2010-04-08 22:10:49 UTC 2019-11-26 03:08:44 UTC FDB013622 2-Phenylethyl 3-methylbutanoate Food flavour. Found in mint oils, alcoholic beverages and other sources &beta;-phenylethyl isovalerate 2-Phenylethyl 3-methylbutanoate 2-Phenylethyl 3-methylbutirate 2-Phenylethyl isopentanoate 2-phenylethyl isovalerate Benzyl carbinyl isovalerianate Benzylcarbinyl 3-methylbutanoate Benzylcarbinyl isopentanoate Benzylcarbinyl isovalerate beta -Phenylethyl isovalerate Beta-phenylethyl isovalerate Butanoic acid, 3-methyl-, 2-phenylethyl ester FEMA 2871 Isovaleric acid, phenethyl ester Phenethyl 3-methylbutyrate Phenethyl isopentanoate Phenethyl isovalerate Phenethyl isovalerianate Phenyl ethyl 3-methyl-butanoate phenylethyl 3-methylbutyrate Phenylethyl isovalerate C13H18O2 206.2808 206.13067982 2-phenylethyl 3-methylbutanoate 2-phenylethyl 3-methylbutanoate 140-26-1 CC(C)CC(=O)OCCC1=CC=CC=C1 InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 JIMGVOCOYZFDKB-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 3.65 ALOGPS logs -3.99 ALOGPS solubility 2.10e-02 g/l ALOGPS logp 3.37 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-phenylethyl 3-methylbutanoate ChemAxon average_mass 206.2808 ChemAxon mono_mass 206.13067982 ChemAxon smiles CC(C)CC(=O)OCCC1=CC=CC=C1 ChemAxon formula C13H18O2 ChemAxon inchi InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 ChemAxon inchikey JIMGVOCOYZFDKB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 60.56 ChemAxon polarizability 23.91 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18637 Specdb::CMs 28622 Specdb::CMs 101686 Specdb::CMs 149833 Specdb::MsIr 6780 Specdb::MsIr 6781 Specdb::MsMs 103221 Specdb::MsMs 103222 Specdb::MsMs 103223 Specdb::MsMs 169203 Specdb::MsMs 169204 Specdb::MsMs 169205 Specdb::MsMs 2772539 Specdb::MsMs 2772540 Specdb::MsMs 2772541 Specdb::MsMs 2909264 Specdb::MsMs 2909265 Specdb::MsMs 2909266 HMDB35017 #<Reference:0x000055ce30e3d3a8> Alcoholic beverages Unknown generic Herbs and Spices Unknown generic apricot bitter floral fruity peach rose sweet