{"ymdb_id":"YMDB01347","created_at":"2011-07-25T20:20:34.000Z","updated_at":"2016-09-08T18:36:34.000Z","name":"Propyl hexanoate","cas":"626-77-7","state":"Liquid","melting_point":"-68.7 oC","description":"Propyl hexanoate is a volatile propyl ester found in wine and produced during fermentation by yeast. Propyl esters are formed by the reaction of propanol with a fatty acid. Propyl ester are far less common than ethyl esters that are produced from ethanol.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"12293","cs_id":"11790","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"propyl hexanoate","traditional_iupac":"propyl hexanoate","logp":"2.836120533333333","pka":null,"alogps_solubility":"3.87e-01 g/l","alogps_logp":"3.30","alogps_logs":"-2.61","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"7","polar_surface_area":"26.3","refractivity":"45.115300000000005","polarizability":"19.395291512728086","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032707661959022","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":["1-hexanoate","1-pentacarboxylate","1-pentanecarboxylate","butylacetate","caproate","capronate","Hexanoic acid, propyl ester","hexoate","hexylate","n-caproate","n-hexanoate","n-hexoate","n-hexylate","n-propyl hexanoate","n-Propyl n-hexanoate","pentanecarboxylate","pentylformate","Propyl caproate"],"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":[]}