1.0 2010-04-08 22:10:49 UTC 2019-11-26 03:08:44 UTC FDB013620 2-Phenylethyl 2-methylpropanoate Found in Mentha subspecies, olive (Olea europea), beer and other beverages. Food flavouring β-phenylethyl isobutyrate 2-Phenylethyl 2-methylpropanoate 2-Phenylethyl 2-methylpropionate 2-Phenylethyl isobutanoate 2-Phenylethyl isobutyrate Benzylcarbinol isobutyrate Benzylcarbinyl 2-methylpropanoate Benzylcarbinyl isobutyrate beta -Phenylethyl isobutyrate Beta-phenylethyl isobutyrate FEMA 2862 Phenethyl 2-methylpropanoate Phenethyl 2-methylpropionate Phenylethyl 2-methylpropanoate Phenylethyl isobutyrate C12H16O2 192.2542 192.115029756 2-phenylethyl 2-methylpropanoate 2-phenylethyl 2-methylpropanoate 103-48-0 CC(C)C(=O)OCCC1=CC=CC=C1 InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 JDQVBGQWADMTAM-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound carboxylic ester logp 3.32 ALOGPS logs -3.52 ALOGPS solubility 5.77e-02 g/l ALOGPS logp 3.18 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-phenylethyl 2-methylpropanoate ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CC(C)C(=O)OCCC1=CC=CC=C1 ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 ChemAxon inchikey JDQVBGQWADMTAM-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.98 ChemAxon polarizability 22.11 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6776 Specdb::MsIr 6777 Specdb::CMs 21935 Specdb::CMs 28681 Specdb::CMs 101684 Specdb::CMs 160804 Specdb::MsMs 61971 Specdb::MsMs 61972 Specdb::MsMs 61973 Specdb::MsMs 118611 Specdb::MsMs 118612 Specdb::MsMs 118613 Specdb::MsMs 2720901 Specdb::MsMs 2720902 Specdb::MsMs 2720903 Specdb::MsMs 2958390 Specdb::MsMs 2958391 Specdb::MsMs 2958392 HMDB35015 #<Reference:0x000055ce32fda8f8> Alcoholic beverages Unknown generic Beverages Unknown generic Fruits Unknown generic Herbs and Spices Unknown generic floral fruity pastry peach rose tea