{"ymdb_id":"YMDB01342","created_at":"2011-07-25T20:19:57.000Z","updated_at":"2016-09-08T18:36:33.000Z","name":"Ethyl pentanoate","cas":"539-82-2","state":"Liquid","melting_point":"-91.2 oC","description":"Ethyl pentanoate, also commonly known as ethyl valerate, is an organic compound used in flavors. It is an ester with the molecular formula C7H14O2. This colorless liquid is poorly soluble in water but miscible with organic solvents. As is the case with most volatile esters, it has a pleasant aroma and taste. It is used as a food additive to impart a fruity flavor, particularly of apple. [Wikipedia]","experimental_water_solubility":"2.21 mg/mL at 25 oC [SUZUKI,T (1991)]","experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"10882","cs_id":"10420","foodb_id":null,"wikipedia_link":"Ethyl_pentanoate","biocyc_id":null,"iupac":"ethyl pentanoate","traditional_iupac":"ethyl valerate","logp":"1.8690294733333332","pka":null,"alogps_solubility":"3.71e+00 g/l","alogps_logp":"2.36","alogps_logs":"-1.55","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"26.3","refractivity":"35.990300000000005","polarizability":"15.411771635982092","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032121581639182","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":["Ethyl n-valerate","Ethyl valerate","n-Valeric acid ethyl ester","Pentanoic acid, ethyl ester","Valeric acid, ethyl ester"],"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":[]}