{"ymdb_id":"YMDB16077","created_at":"2016-08-03T23:52:52.000Z","updated_at":"2016-09-12T20:54:18.000Z","name":"Pseudocumene","cas":null,"state":"Liquid","melting_point":null,"description":"Pseudocumene, or 1,2,4-Trimethylbenzene is a colorless liquid with chemical formula C9H12. It is a flammable aromatic hydrocarbon with a strong odor. It occurs naturally in coal tar and petroleum (about 3%). It is nearly insoluble in water, but well-soluble in ethanol, diethyl ether, and benzene.","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":"1,2,4-trimethylbenzene","traditional_iupac":"1,2,4-trimethylbenzene","logp":"3.5135099839999997","pka":null,"alogps_solubility":"8.25e-02 g/l","alogps_logp":"3.62","alogps_logs":"-3.16","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"0.0","refractivity":"41.181599999999996","polarizability":"15.117070583059476","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"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":[]}