{"ymdb_id":"YMDB01329","created_at":"2011-07-25T20:18:17.000Z","updated_at":"2016-09-08T18:36:32.000Z","name":"Butyl 2-methyl-2-propenoate","cas":"97-88-1","state":"Liquid","melting_point":"-75 oC","description":"Butyl 2-methyl-2-propenoate is a volatile butyl ester found in wine and produced during fermentation by yeast. Butyl esters are formed by the reaction of butanol with a cfatty acid. The concentrations of butyl esters decrease over time as a wine ages due to spontaneous hydrolysis.","experimental_water_solubility":"0.8 mg/mL at 25 oC [ULLMANN'S ENCYCL; A21:159]","experimental_logp_hydrophobicity":"2.88 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"7354","cs_id":"7076","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"butyl 2-methylprop-2-enoate","traditional_iupac":"butyl 2-methylprop-2-enoate","logp":"2.631624186","pka":null,"alogps_solubility":"2.53e+00 g/l","alogps_logp":"2.59","alogps_logs":"-1.75","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"26.3","refractivity":"40.2912","polarizability":"16.575267376088906","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.832340814747661","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-Methyl-2-propenoic acid butyl ester","2-Methyl-butylacrylaat","2-Methyl-butylacrylat","2-Methyl-butylacrylate","2-Methylacrylic acid, butyl ester","2-Propenoic acid, 2-methyl-, butyl ester","BMA","Butil metacrilato","Butyl 2-methacrylate","Butyl 2-methylacrylate","Butyl ester of methacrylic acid","Butyl methacrylate","Butyl-2-methyl-2-propenate","Butylester kyseliny methakrylove","Butylmethacrylaat","Methacrylate de butyle","Methacrylic acid n-butyl ester","Methacrylic acid, butyl ester","Methacrylsaeurebutylester","n-Butyl methacrylate"],"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":[]}