{"ymdb_id":"YMDB16036","created_at":"2016-08-03T23:52:12.000Z","updated_at":"2016-09-12T20:54:17.000Z","name":"Isopropyl palmitate","cas":null,"state":"Liquid","melting_point":null,"description":"Isopropyl palmitate, or isopropyl hexadecanoate is used as a food additive [EAFUS] (\"EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]\"). Isopropyl hexadecanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"propan-2-yl hexadecanoate","traditional_iupac":"isopropyl palmitate","logp":"7.175859813000001","pka":null,"alogps_solubility":"4.47e-05 g/l","alogps_logp":"8.06","alogps_logs":"-6.82","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"16","polar_surface_area":"26.3","refractivity":"91.02009999999999","polarizability":"40.35353514733096","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.040281578838514","pka_strongest_acidic":null,"bioavailability":"0","number_of_rings":"0","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}