{"ymdb_id":"YMDB01378","created_at":"2011-07-25T20:24:37.000Z","updated_at":"2016-09-08T18:36:36.000Z","name":"4-Hexenyl acetate","cas":null,"state":null,"melting_point":null,"description":"4-Hexenyl acetate is a volatile acetyl ester found in wine and produced during fermentation by yeast. Acetyl esters are formed by the reaction of acetyl-CoA with a primary alcohol.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"5352819","cs_id":"23253520","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"hex-4-en-1-yl acetate","traditional_iupac":"hex-4-en-1-yl acetate","logp":"1.7736630296666664","pka":null,"alogps_solubility":"9.50e-01 g/l","alogps_logp":"2.44","alogps_logs":"-2.18","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"26.3","refractivity":"41.605","polarizability":"16.76307271900271","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.9938340899307185","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":["ACETATE ION","acetic acid, ion(1-)","ethanoate"],"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":[]}