{"ymdb_id":"YMDB16068","created_at":"2016-08-03T23:52:41.000Z","updated_at":"2016-09-12T20:54:18.000Z","name":"P-Tolualdehyde","cas":null,"state":"Liquid","melting_point":null,"description":"P-Tolualdehyde, or 4-methylbenzaldehyde is found in alcoholic beverages. 4-Methylbenzaldehyde is a component of *FEMA 3068* together with the o- and m-isomers. 4-Methylbenzaldehyde is a flavouring ingredient. Methylbenzaldehydes are present in roasted nuts, cooked beef, cider, tomato, coffee, tea and elderberry juice. 4-methylbenzaldehyde belongs to the family of Benzaldehydes. These are organic compounds containing a benzene ring with a formyl substituent.","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":"4-methylbenzaldehyde","traditional_iupac":"P-tolualdehyde","logp":"2.19916955","pka":null,"alogps_solubility":"1.47e+00 g/l","alogps_logp":"2.01","alogps_logs":"-1.91","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"37.6832","polarizability":"13.170762342105025","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.102027743392551","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":[]}