1.0 2010-04-08 22:14:50 UTC 2015-07-21 06:43:02 UTC FDB020159 Isopropyl phenylacetate Flavouring ingredient 1-Methylethyl benzeneacetate Acetic acid, phenyl-, isopropyl ester Benzeneacetic acid 1-methylethyl ester Benzeneacetic Acid, 1-methylethyl Ester FEMA 2956 Isopropyl alpha-toluate Isopropyl phenylacetate Phenylacetic acid, isopropyl ester C11H14O2 178.2277 178.099379692 propan-2-yl 2-phenylacetate isopropyl 2-phenylacetate 4861-85-2 CC(C)OC(=O)CC1=CC=CC=C1 InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 SSMBXPJYHMZLOJ-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 logp 2.97 ALOGPS logs -3.00 ALOGPS solubility 1.77e-01 g/l ALOGPS logp 2.53 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac propan-2-yl 2-phenylacetate ChemAxon average_mass 178.2277 ChemAxon mono_mass 178.099379692 ChemAxon smiles CC(C)OC(=O)CC1=CC=CC=C1 ChemAxon formula C11H14O2 ChemAxon inchi InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 ChemAxon inchikey SSMBXPJYHMZLOJ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 51.3 ChemAxon polarizability 19.84 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24274 Specdb::CMs 29132 Specdb::CMs 102130 Specdb::CMs 152844 Specdb::MsIr 8951 Specdb::MsIr 8952 Specdb::MsMs 72456 Specdb::MsMs 72457 Specdb::MsMs 72458 Specdb::MsMs 131388 Specdb::MsMs 131389 Specdb::MsMs 131390 Specdb::MsMs 2434117 Specdb::MsMs 2434118 Specdb::MsMs 2434119 Specdb::MsMs 2504021 Specdb::MsMs 2504022 Specdb::MsMs 2504023 HMDB40426 #<Reference:0x000055ce315e3850> honeysuckle powdery sweet winey