{"ymdb_id":"YMDB00838","created_at":"2011-05-29T18:57:10.000Z","updated_at":"2016-09-08T18:35:58.000Z","name":"Phenyl acetate","cas":"122-79-2","state":"Liquid","melting_point":"-30 oC","description":"Phenylacetic acid is an organic compound containing a phenyl functional group and a carboxylic acid functional group. It is a white solid with a disagreeable odor. Because it is used in the illicit production of phenylacetone (used in the manufacture of meth/amphetamines), it is subject to controls in the United States. Phenylacetic acid has been found to be an active auxin predominantly found in fruits.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"1.49 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"8082","hmdb_id":null,"kegg_id":"C00548","pubchem_id":"12497","cs_id":"28969","foodb_id":null,"wikipedia_link":"Phenylacetic_acid","biocyc_id":null,"iupac":"phenyl acetate","traditional_iupac":"phenyl acetate","logp":"1.5805067903333332","pka":null,"alogps_solubility":"2.19e+00 g/l","alogps_logp":"1.59","alogps_logs":"-1.79","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"26.3","refractivity":"37.190400000000004","polarizability":"14.115643849777472","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.141168547963835","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["Acetic acid, phenyl ester","Acetyl phenol","Acetylphenol","Fenylester kyseliny octove","Phenol acetate","Phenyl acetate","Phenyl ester of acetic acid"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."}],"proteins":[]}