{"ymdb_id":"YMDB01617","created_at":"2011-08-31T03:28:34.000Z","updated_at":"2016-09-08T18:36:54.000Z","name":"4-Ethylphenol","cas":null,"state":"Solid","melting_point":"45.0 oC","description":"4-Ethylphenol is a volatile compound found in wines spoiled with the Brettanomyces wild yeast. At low concentrations, this compound is thought to add to wine complexity, but at high concentrations the wine is considered spoiled and has been described as animal, barnyard, stable, phenolic, and mousy. [PMID: 17850808]","experimental_water_solubility":"4.9 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"2.58 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"49584","hmdb_id":null,"kegg_id":"C13637","pubchem_id":"17883015","cs_id":"28982","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4-ethylphenol","traditional_iupac":"ethylphenol","logp":"2.627670548666667","pka":null,"alogps_solubility":"6.15e+00 g/l","alogps_logp":"2.54","alogps_logs":"-1.30","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"20.23","refractivity":"37.6811","polarizability":"13.85867636702929","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-5.439522161866621","pka_strongest_acidic":"10.319334469148892","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Ethyl-4-hydroxybenzene","1-Hydroxy-4-ethylbenzene","4-Ethylphenol","p-Ethylphenol","para-Ethylphenol","Paraethylphenol","Phenol, 4-ethyl-","Phenol, p-ethyl-"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}