{"ymdb_id":"YMDB01383","created_at":"2011-07-25T20:25:14.000Z","updated_at":"2016-09-08T18:36:37.000Z","name":"2-nonanone","cas":"821-55-6","state":"Liquid","melting_point":"-7.5 oC","description":"2-Nonanone is a volatile aroma compound found in yeast extracts and in wine. It is responsible for blue cheese aromas.","experimental_water_solubility":"0.371 mg/mL at 25 oC [WASIK,SP et al. (1981)]","experimental_logp_hydrophobicity":"3.14 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"8093","cs_id":"12632","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"nonan-2-one","traditional_iupac":"2-nonanone","logp":"3.029658980333333","pka":null,"alogps_solubility":"1.83e-01 g/l","alogps_logp":"3.08","alogps_logs":"-2.89","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"6","polar_surface_area":"17.07","refractivity":"43.8267","polarizability":"18.453314097532523","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.270866249933624","pka_strongest_acidic":"19.643447760748405","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["beta-Nonanone","Heptyl methyl ketone","Ketone, heptyl methyl","Methyl heptyl ketone","Methyl n-heptyl ketone","n-C7H15COCH3","Nonan-2-one","Nonanone-2"],"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."},{"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":[]}