1.0 2010-04-08 22:12:41 UTC 2025-11-19 01:50:22 UTC FDB016849 2-Phenylethyl 2-methylbutanoate Isolated from Mentha cardiaca, Alpinia officinarum (lesser galangal) and cider. Food flavouring ingredient. 2-Phenylethyl 2-methylbutanoate is found in alcoholic beverages and herbs and spices. 2-Phenylethyl 2-methylbutanoate 2-Phenylethyl 2-methylbutyrate Benzylcarbinyl 2-methylbutyrate Beta-phenethyl alpha-methylbutanoate Beta-phenylethyl alpha-methylbutanoate Butanoic acid, 2-methyl-, 2-phenylethyl ester Butyric acid, 2-methyl-, phenethyl ester FEMA 3632 Phenethyl 2-methylbutanoate Phenethyl 2-methylbutyrate Phenylethyl 2-methyl butyrate phenylethyl 2-methylbutanoate Phenylethyl 2-methylbutyrate C13H18O2 206.2808 206.13067982 2-phenylethyl 2-methylbutanoate 2-phenylethyl 2-methylbutanoate 24817-51-4 CCC(C)C(=O)OCCC1=CC=CC=C1 InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3 KVKKTLBBYFABAZ-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 -3.85 ALOGPS solubility 2.91e-02 g/l ALOGPS logp 3.62 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-phenylethyl 2-methylbutanoate ChemAxon average_mass 206.2808 ChemAxon mono_mass 206.13067982 ChemAxon smiles CCC(C)C(=O)OCCC1=CC=CC=C1 ChemAxon formula C13H18O2 ChemAxon inchi InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3 ChemAxon inchikey KVKKTLBBYFABAZ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 60.58 ChemAxon polarizability 23.97 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14433 Specdb::CMs 28635 Specdb::CMs 101891 Specdb::CMs 154779 Specdb::MsIr 7623 Specdb::MsIr 7624 Specdb::MsMs 98634 Specdb::MsMs 98635 Specdb::MsMs 98636 Specdb::MsMs 163599 Specdb::MsMs 163600 Specdb::MsMs 163601 Specdb::MsMs 2305338 Specdb::MsMs 2305339 Specdb::MsMs 2305340 Specdb::MsMs 2657644 Specdb::MsMs 2657645 Specdb::MsMs 2657646 HMDB37720 #<Reference:0x000055ce32f61f70> Alcoholic beverages Unknown generic Herbs and Spices Unknown generic floral green rose sweet tropical waxy