{"ymdb_id":"YMDB01401","created_at":"2011-07-25T20:33:14.000Z","updated_at":"2016-09-08T18:36:38.000Z","name":"dipropyl succinate","cas":"925-15-5","state":"Liquid","melting_point":"-5.9 oC","description":"Dipropyl succinate is a volatile ester found in wine and produced during fermentation. It is produced from the reaction of ethanol with succinic acid.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"2.16 [FUNASAKI,N ET AL. (1984)]","location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"8830","cs_id":"12961","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1,4-dipropyl butanedioate","traditional_iupac":"1,4-dipropyl butanedioate","logp":"1.6519658440000002","pka":null,"alogps_solubility":"3.27e+00 g/l","alogps_logp":"2.08","alogps_logs":"-1.79","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"9","polar_surface_area":"52.6","refractivity":"51.620400000000004","polarizability":"22.425804472118262","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.737444944775957","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["Di-n-propyl succinate","Dipropylester kyseliny jantarove","Succinic acid, dipropyl ester"],"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":[]}