{"ymdb_id":"YMDB01328","created_at":"2011-07-25T20:18:08.000Z","updated_at":"2016-09-08T18:36:32.000Z","name":"Butyl 2-methyl propanoate","cas":"97-87-0","state":"Solid","melting_point":"\u003c25 oC","description":"Butyl 2-methyl propanoate 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 fatty acid. The concentrations of butyl esters decrease over time as a wine ages due to spontaneous hydrolysis.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"7353","cs_id":"7075","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"butyl 2-methylpropanoate","traditional_iupac":"butyl 2-methylpropanoate","logp":"2.489969481666666","pka":null,"alogps_solubility":"1.68e+00 g/l","alogps_logp":"2.82","alogps_logs":"-1.93","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"26.3","refractivity":"40.48780000000001","polarizability":"17.37465381178084","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.065504966425065","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":["Butyl 2-methylpropanoate","Butyl ester of 2-methylpropanoic acid","Butyl isobutanoate","Butyl isobutyrate","Isobutyric acid n-butyl ester","Isobutyric acid, butyl ester","n-Butyl isobutyrate"],"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":[]}