{"ymdb_id":"YMDB01370","created_at":"2011-07-25T20:23:33.000Z","updated_at":"2016-09-08T18:36:36.000Z","name":"Methyl 2-hydroxy benzoate","cas":"119-36-8","state":"Liquid","melting_point":"-8 oC","description":"Methyl 2-hydroxy benzoate is a volatile phenolic compound found in wine and produced during fermentation. Phenolic compounds impact on a wines aroma and color.","experimental_water_solubility":"0.7 mg/mL at 30 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"2.55 [SANGSTER (1994)]","location":"extracellular","synthesis_reference":null,"chebi_id":"16150","hmdb_id":null,"kegg_id":"C12305","pubchem_id":"4133","cs_id":"13848808","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"methyl 2-hydroxybenzoate","traditional_iupac":"methyl salicylate","logp":"2.3231574583333336","pka":null,"alogps_solubility":"5.73e+00 g/l","alogps_logp":"2.07","alogps_logs":"-1.42","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"46.53","refractivity":"40.0642","polarizability":"14.982038591572135","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.287418929758233","pka_strongest_acidic":"9.722685015540604","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-(Methoxycarbonyl)phenol","2-Hydroxybenzoic acid, methyl ester","Analgit","benzoate anion","Benzoic acid, 2-hydroxy-, methyl ester","benzoic acid, ion(1-)","Betula","Betula Lenta","Betula oil","Exagien","Flucarmit","Gaultheria oil","Gaultheria Oil, artificial","Gaultheriaoel","Gaultheric acid","Methyl 2-hydroxybenzoate","Methyl ester 2-hydroxy-benzoic acid","Methyl o-hydroxybenzoate","Methyl salicylate","Natural wintergreen oil","o-Hydroxybenzoic acid, methyl ester","Oil of Wintergreen","Salicylic acid, methyl ester","Spicewood Oil","Sweet birch oil","Synthetic wintergreen oil","Teaberry oil","Wintergreen oil","Wintergreen Oil, synthetic","Wintergruenoel"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":20151225,"citation":"Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). \"A new process for wine production by penetration of yeast in uncrushed frozen grapes.\" Appl Biochem Biotechnol 162:1109-1121."}],"proteins":[]}