{"ymdb_id":"YMDB15925","created_at":"2016-08-03T23:49:05.000Z","updated_at":"2016-09-10T00:51:58.000Z","name":"2-Acetylfuran","cas":null,"state":null,"melting_point":null,"description":"2-Acetylfuran is found in alcoholic beverages. 2-Acetylfuran is present in cooked apple, morello cherry, wine grapes, peach, strawberry, plum, rabbiteye blueberry, asparagus, kohlrabi, baked potato, pineapple, bread products, rice, yoghurt, wines, soybean, black tea and calamus (European origin). Contributes to aroma of many foods and beverages. 2-Acetylfuran is used in flavour compositions.","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-(furan-2-yl)ethan-1-one","traditional_iupac":"acetylfuran","logp":"0.5911399786666669","pka":null,"alogps_solubility":"1.91e+01 g/l","alogps_logp":"0.73","alogps_logs":"-0.76","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"30.21","refractivity":"28.851700000000005","polarizability":"10.90193763552401","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.0306070771975","pka_strongest_acidic":"14.370531567829335","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":[]}