{"ymdb_id":"YMDB01457","created_at":"2011-07-25T20:40:12.000Z","updated_at":"2016-09-08T18:36:42.000Z","name":"2-Methylphenol","cas":"95-48-7","state":"Solid","melting_point":"29.8 oC","description":"2-Methylphenol (o-cresol) is a volatile aroma compound found in yeast extracts. It is an isomer of p-cresol, m-cresol and anisole.","experimental_water_solubility":"25.9 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"1.95 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"28054","hmdb_id":"HMDB02055","kegg_id":"C03359","pubchem_id":"335","cs_id":"13835772","foodb_id":null,"wikipedia_link":"o-Cresol","biocyc_id":"CPD-109","iupac":"2-methylphenol","traditional_iupac":"o-cresol","logp":"2.1831018836666667","pka":null,"alogps_solubility":"2.75e+01 g/l","alogps_logp":"1.89","alogps_logs":"-0.59","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"20.23","refractivity":"33.0801","polarizability":"11.831786386924053","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-5.462420484988653","pka_strongest_acidic":"10.37449852812061","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Hydroxy-2-methylbenzene","1-Methyl-2-hydroxybenzene","2-Cresol","2-hydroxy-1-methylbenzene","2-Hydroxytoluene","4-Chloro-2-methylphenol","Cresylic acid","o-Cresol","o-Cresylic acid","o-Hydroxytoluene","o-Kresol","o-Methylphenol","o-Methylphenylol","o-Oxytoluene","o-Toluol","ortho-cresol","Orthocresol","para-Cresol","Phenol, 2-methyl-"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":16968089,"citation":"Mahadevan, K., Farmer, L. (2006). \"Key odor impact compounds in three yeast extract pastes.\" J Agric Food Chem 54:7242-7250."},{"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":[]}