{"ymdb_id":"YMDB01434","created_at":"2011-07-25T20:37:23.000Z","updated_at":"2016-09-08T18:36:40.000Z","name":"2,3-pentanedione","cas":"600-14-6","state":"Solid","melting_point":null,"description":"2,3-Pentanedione is a volatile aroma compound found in yeast extracts. It is responsible for a honey flavour or aroma.","experimental_water_solubility":"66.7 mg/mL at 15 oC [BEILSTEIN]","experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"52774","hmdb_id":null,"kegg_id":null,"pubchem_id":"11747","cs_id":"11254","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"pentane-2,3-dione","traditional_iupac":"acetyl propionyl","logp":"1.0960353230000002","pka":null,"alogps_solubility":"5.90e+01 g/l","alogps_logp":"0.33","alogps_logs":"-0.23","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"34.14","refractivity":"26.1677","polarizability":"10.296518384548499","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-8.373102181448367","pka_strongest_acidic":"16.160616491779","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2,3-Pentadione","2,3-Pentandione","2,3-Pentanedione","Acetyl propionyl","Acetylpropionyl","Pentan-2,3-dione","pentane-2,3-dione"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":16968089,"citation":"Mahadevan, K., Farmer, L. (2006). \"Key odor impact compounds in three yeast extract pastes.\" J Agric Food Chem 54:7242-7250."}],"proteins":[]}