1.0 2011-03-30 21:42:08 UTC 2015-07-21 06:55:53 UTC FDB021767 Phenyl butyrate Flavouring ingredient [CCD] Butanoic acid, 9ci Butanoic acid, 9CI; Ph ester PH Ester Phenyl butyrate C10H12O2 164.204 164.083729626 phenyl butanoate α-ethylphenylacetate 4346-18-3 CCCC(=O)OC1=CC=CC=C1 InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 IGVPBCZDHMIOJH-UHFFFAOYSA-N belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. Phenol esters Organic compounds Benzenoids Phenol esters Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ester Phenoxy compound logp 2.53 ALOGPS logs -2.82 ALOGPS solubility 2.48e-01 g/l ALOGPS logp 2.73 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac phenyl butanoate ChemAxon average_mass 164.204 ChemAxon mono_mass 164.083729626 ChemAxon smiles CCCC(=O)OC1=CC=CC=C1 ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 ChemAxon inchikey IGVPBCZDHMIOJH-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 46.42 ChemAxon polarizability 18.2 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9348 Specdb::MsIr 9349 Specdb::CMs 25194 Specdb::CMs 29159 Specdb::CMs 102242 Specdb::CMs 166198 Specdb::MsMs 56265 Specdb::MsMs 56266 Specdb::MsMs 56267 Specdb::MsMs 111639 Specdb::MsMs 111640 Specdb::MsMs 111641 Specdb::MsMs 2784337 Specdb::MsMs 2784338 Specdb::MsMs 2784339 Specdb::MsMs 2921119 Specdb::MsMs 2921120 Specdb::MsMs 2921121 HMDB41612 #<Reference:0x000055ac3fe90430> floral sweet