{"ymdb_id":"YMDB01353","created_at":"2011-07-25T20:21:21.000Z","updated_at":"2016-09-08T18:36:34.000Z","name":"Ethyl 2-methyl butanoate","cas":"7452-79-1","state":null,"melting_point":null,"description":"Ethyl 2-methyl butanoate is a volatile ethyl ester found in wine and produced during fermentation by yeast. Ethyl esters are formed by the reaction of ethanol with a fatty acid. They typically have pleasant sweet aromas. The concentrations of ethyl ester 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":"7945","cs_id":"22453","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl 2-methylbutanoate","traditional_iupac":"ethyl 2-methylbutanoate","logp":"1.9674470866666671","pka":null,"alogps_solubility":"4.16e+00 g/l","alogps_logp":"2.38","alogps_logs":"-1.50","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"26.3","refractivity":"35.963800000000006","polarizability":"15.088943600397336","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.067851707571805","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-Methylbutanoic acid ethyl ester","Butanoic acid, 2-methyl-, ethyl ester","Butyric acid, 2-methyl-, ethyl ester","Ethyl 2-methylbutanoate","Ethyl 2-methylbutyrate","Ethyl alpha-methylbutyrate"],"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":[]}