{"ymdb_id":"YMDB01730","created_at":"2011-08-31T03:40:14.000Z","updated_at":"2016-09-08T18:37:03.000Z","name":"m-Cresol","cas":"108-39-4","state":"Liquid","melting_point":"11.8 oC","description":"m-Cresol is an isomer of p-cresol, o-cresol and anisole.","experimental_water_solubility":"22.7 mg/mL at 25 oC [YALKOWSKY,SH \u0026 HE,Y (2003)]","experimental_logp_hydrophobicity":"1.96 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"17231","hmdb_id":"HMDB02048","kegg_id":"C01467","pubchem_id":"342","cs_id":"21105871","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-methylphenol","traditional_iupac":"M-cresol","logp":"2.1831018836666667","pka":null,"alogps_solubility":"2.51e+01 g/l","alogps_logp":"1.93","alogps_logs":"-0.63","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"20.23","refractivity":"33.0801","polarizability":"11.910825333510092","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-5.477095511148552","pka_strongest_acidic":"10.134322591215804","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["3-Cresol","3-Cresol, calcium salt(1:2)","3-Cresol, sodium salt","3-Hydroxytoluene","3-Methylphenol","Meta-cresol"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."}],"proteins":[]}