{"ymdb_id":"YMDB16057","created_at":"2016-08-03T23:52:31.000Z","updated_at":"2016-09-10T00:52:15.000Z","name":"O-Ethyltoluene","cas":null,"state":null,"melting_point":null,"description":"o-Ethyltoluene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.","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-ethyl-2-methylbenzene","traditional_iupac":"o-ethyltoluene","logp":"3.4446572596666662","pka":null,"alogps_solubility":"5.66e-02 g/l","alogps_logp":"3.87","alogps_logs":"-3.33","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"0.0","refractivity":"40.7414","polarizability":"14.856762894870116","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":[]}