{"ymdb_id":"YMDB01397","created_at":"2011-07-25T20:32:44.000Z","updated_at":"2016-09-08T18:36:38.000Z","name":"propyl butanoate","cas":"105-66-8","state":"Liquid","melting_point":"-95.2 oC","description":"Propyl butanoate 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":"1.62 mg/mL at 17 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"7762","cs_id":"7482","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"propyl butanoate","traditional_iupac":"N-propylbutyrate","logp":"1.9469832033333332","pka":null,"alogps_solubility":"4.20e+00 g/l","alogps_logp":"2.32","alogps_logs":"-1.49","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"26.3","refractivity":"35.9133","polarizability":"15.440781603226114","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032599483942176","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":["Butyric acid, propyl ester","n-Butyric acid n-propyl ester","n-Propyl butyrate","n-Propyl n-butyrate","Propyl butyrate","propyl bytanoate","Propyl ester of butanoic acid","Propyl n-butyrate","Propylester kyseliny maselne"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":12236692,"citation":"Patel, S., Shibamoto, T. (2002). \"Effect of different strains of Saccharomyces cerevisiae on production of volatiles in Napa Gamay wine and Petite Sirah wine.\" J Agric Food Chem 50:5649-5653."}],"proteins":[]}