1.0 2010-04-08 22:14:50 UTC 2019-11-26 03:18:33 UTC FDB020160 Butyl phenylacetate Butyl phenylacetate is a flavouring agent. It is found in mountain papaya (Carica pubescens), and other fruits. Acetic acid, phenyl-, butyl ester Benzeneacetic acid, butyl ester Butyl alpha-toluate Butyl benzene acetate Butyl benzeneacetate Butyl phenyl acetate Butyl phenylacetate Butyl phenylethanoate FEMA 2209 N-butyl phenylacetate Phenylacetic acid butyl ester Phenylethanoic acid butyl ester C12H16O2 192.2542 192.115029756 butyl 2-phenylacetate butyl 2-phenylacetate 122-43-0 CCCCOC(=O)CC1=CC=CC=C1 InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 LDOXTQYWWYXYSQ-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 3.52 ALOGPS logs -3.63 ALOGPS solubility 4.47e-02 g/l ALOGPS logp 3.08 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac butyl 2-phenylacetate ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CCCCOC(=O)CC1=CC=CC=C1 ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 ChemAxon inchikey LDOXTQYWWYXYSQ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.01 ChemAxon polarizability 22.13 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10201 Specdb::CMs 29133 Specdb::CMs 102131 Specdb::CMs 174342 Specdb::MsIr 8953 Specdb::MsIr 8954 Specdb::MsMs 65688 Specdb::MsMs 65689 Specdb::MsMs 65690 Specdb::MsMs 123117 Specdb::MsMs 123118 Specdb::MsMs 123119 Specdb::MsMs 2711606 Specdb::MsMs 2711607 Specdb::MsMs 2711608 Specdb::MsMs 2997950 Specdb::MsMs 2997951 Specdb::MsMs 2997952 HMDB40427 #<Reference:0x000055ce33214a38> Fruits Unknown generic chocolate honey rose