{"ymdb_id":"YMDB15924","created_at":"2016-08-03T23:49:04.000Z","updated_at":"2016-09-10T00:51:57.000Z","name":"2-Acetyl-5-methylfuran","cas":null,"state":null,"melting_point":null,"description":"2-Acetyl-5-methylfuran is found in alcoholic beverages. 2-Acetyl-5-methylfuran is isolated from raisins, roasted onion, French fried potato, tomato, smoked fatty fish, cooked beef, fried cured pork, beer, spirits, black tea, wild rice, squid and coffee aroma. 2-Acetyl-5-methylfuran is organoleptic and flavouring agent.","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":"1-(5-methylfuran-2-yl)ethan-1-one","traditional_iupac":"2-acetyl-5-methylfuran","logp":"0.7907013016666666","pka":null,"alogps_solubility":"1.07e+01 g/l","alogps_logp":"0.94","alogps_logs":"-1.06","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"30.21","refractivity":"34.001400000000004","polarizability":"13.146841595171702","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.964116180422492","pka_strongest_acidic":"14.61587160461287","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","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":[]}