{"ymdb_id":"YMDB01358","created_at":"2011-07-25T20:22:01.000Z","updated_at":"2016-09-08T18:36:35.000Z","name":"Butyl 2-methyl butanoate ","cas":"15706-73-7","state":"Solid","melting_point":null,"description":"Butyl 2-methyl butanoate 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":"7795","cs_id":"55692","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"butyl 2-methylbutanoate","traditional_iupac":"butyl 2-methylbutanoate","logp":"2.9345381466666662","pka":null,"alogps_solubility":"6.01e-01 g/l","alogps_logp":"3.40","alogps_logs":"-2.42","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"6","polar_surface_area":"26.3","refractivity":"45.088800000000006","polarizability":"19.22604354900944","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.068456610255728","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":["Butanoic acid, 2-methyl-, butyl ester","Butyl 2-methylbutyrate","n-Butyl 2-methyl butyrate"],"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":[]}