{"ymdb_id":"YMDB01345","created_at":"2011-07-25T20:20:20.000Z","updated_at":"2016-09-08T18:36:34.000Z","name":"Butyl octanoate","cas":"589-75-3","state":"Liquid","melting_point":"-42.9 oC","description":"Butyl octanoate 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":"11517","cs_id":"11033","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"butyl octanoate","traditional_iupac":"butyl octanoate","logp":"4.169826528333333","pka":null,"alogps_solubility":"1.14e-02 g/l","alogps_logp":"4.73","alogps_logs":"-4.24","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"10","polar_surface_area":"26.3","refractivity":"58.9183","polarizability":"25.65963032935756","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.0327275563917295","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":["1-heptanecarboxylate","Butyl caprylate","caprylate","Caprylic acid n-butyl ester","n-Butyl n-octanoate","n-Butyl octanoate","n-Butylcaprylate","n-caprylate","n-Caprylic acid n-butyl ester","n-octanoate","n-octoate","n-octylate","Octanoic acid, butyl ester","octanoic acid, ion(1-)","octylate"],"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":[]}