{"ymdb_id":"YMDB01336","created_at":"2011-07-25T20:19:12.000Z","updated_at":"2016-09-08T18:36:33.000Z","name":"Methyl decanoate","cas":"110-42-9","state":"Liquid","melting_point":"-18 oC","description":"Methyl decanoate is a volatile methyl ester found in wine and produced during fermentation by yeast. Methyl esters are formed by the reaction of methanol with a fatty acid. Methyl ester are far less common than ethyl esters that are produced from ethanol.","experimental_water_solubility":"0.0044 mg/mL at 20 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"4.41 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"8050","cs_id":"7759","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"methyl decanoate","traditional_iupac":"methyl decanoate","logp":"3.7350648436666667","pka":null,"alogps_solubility":"1.86e-02 g/l","alogps_logp":"4.58","alogps_logs":"-4.00","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"9","polar_surface_area":"26.3","refractivity":"54.246700000000004","polarizability":"23.63599888961309","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.0239806136690355","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["Capric acid methyl ester","Decanoic acid methyl ester","Decanoic acid, methyl ester","Methyl caprate","Methyl caprinate","Methyl n-decanoate","Methyl-n-caprate","n-Capric acid methyl ester"],"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":[]}