1.0 2010-04-08 22:14:50 UTC 2015-07-21 06:43:00 UTC FDB020158 Propyl phenylacetate Flavouring ingredient Acetic acid, phenyl-, propyl ester Acetic acid, phenyl-, propyl ester (8CI) Benzeneacetic acid, propyl ester FEMA 2955 N-propyl phenylacetate N-propyl-alpha-toluate Phenylacetic acid propyl ester Propyl alpha-toluate Propyl benzeneacetate Propyl phenylacetate C11H14O2 178.2277 178.099379692 propyl 2-phenylacetate propyl 2-phenylacetate 4606-15-9 CCCOC(=O)CC1=CC=CC=C1 InChI=1S/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 GXXFZZLGPFNITM-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 2.88 ALOGPS logs -3.16 ALOGPS solubility 1.24e-01 g/l ALOGPS logp 2.64 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac propyl 2-phenylacetate ChemAxon average_mass 178.2277 ChemAxon mono_mass 178.099379692 ChemAxon smiles CCCOC(=O)CC1=CC=CC=C1 ChemAxon formula C11H14O2 ChemAxon inchi InChI=1S/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 ChemAxon inchikey GXXFZZLGPFNITM-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 51.41 ChemAxon polarizability 20.05 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14903 Specdb::CMs 29131 Specdb::CMs 102129 Specdb::CMs 150876 Specdb::MsIr 8949 Specdb::MsIr 8950 Specdb::MsMs 105027 Specdb::MsMs 105028 Specdb::MsMs 105029 Specdb::MsMs 171429 Specdb::MsMs 171430 Specdb::MsMs 171431 Specdb::MsMs 2753191 Specdb::MsMs 2753192 Specdb::MsMs 2753193 Specdb::MsMs 2952168 Specdb::MsMs 2952169 Specdb::MsMs 2952170 HMDB40425 #<Reference:0x000055ce31d6cc20> apricot floral honey rose sweet