{"ymdb_id":"YMDB01619","created_at":"2011-08-31T03:28:52.000Z","updated_at":"2016-09-08T18:36:54.000Z","name":"4-Methylacetophenone","cas":"122-00-9","state":"Solid","melting_point":"28 oC","description":"4-Methylacetophenone is a compound responsible for a bread-like aroma in Champagnes.","experimental_water_solubility":"0.372 mg/mL at 15 oC [BEILSTEIN]","experimental_logp_hydrophobicity":"2.10 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"17087","hmdb_id":null,"kegg_id":"C00709","pubchem_id":"8500","cs_id":"8186","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1-(4-methylphenyl)ethan-1-one","traditional_iupac":"P-methylacetophenone","logp":"2.0443147240000004","pka":null,"alogps_solubility":"4.14e-01 g/l","alogps_logp":"2.11","alogps_logs":"-2.51","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"41.502","polarizability":"15.245736080257778","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.379150115231225","pka_strongest_acidic":"16.24068782709233","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(4-Methylphenyl) methyl ketone","(4-Methylphenyl)ethanone","1-(4-Methylphenyl)ethanone","1-Acetyl-4-methylbenzene","1-Methyl-4-acetylbenzene","4-Acetyltoluene","4-Methylacetophenone","4'-Methylacetophenone","Acetophenone, 4'-methyl-","cetone","Esberiven","Ethanone, 1-(4-methylphenyl)-","Keton","Ketone","ketones","Melilot","Melilotal","Methyl p-tolyl ketone","p-Acetotoluene","p-Acetyltoluene","p-Methylacetophenone","para-Methylacetophenone","Sweet clover","Yellow melilot","Yellow sweet clover"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}