{"ymdb_id":"YMDB01576","created_at":"2011-08-31T03:24:30.000Z","updated_at":"2016-09-08T18:36:51.000Z","name":"1,1,6-Trimethyl-1,2-dihydronaphthalene","cas":"30364-38-6","state":null,"melting_point":null,"description":"1,1,6-Trimethyl-1,2-dihydronaphthalene is created during the aging process from carotenoid precursors by acid hydrolysis. 1,1,6-trimethyl-1,2-dihydronaphthalene is considered to be the cause of flavours assocated to kerosene, lubricant or rubber. [Wikipedia]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"10263787","cs_id":"108567","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1,1,6-trimethyl-1,2-dihydronaphthalene","traditional_iupac":"1,1,6-trimethyl-2H-naphthalene","logp":"4.246765970999999","pka":null,"alogps_solubility":"2.22e-03 g/l","alogps_logp":"4.96","alogps_logs":"-4.89","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"0","refractivity":"58.72170000000001","polarizability":"21.230495501898872","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["1,1,6-Trimethyl-1,2-dihydro-naphthalene (dehydro-ar-ionene)","1,1,6-trimethyl-1,2-dihydronaphthalene (TDN)","1,2-Dihydro-1,1,6-trimethylnaphthalene","2,6-ditert-butyl-1,4-dihydronaphthalene","Naphthalene, 1,2-dihydro-1,1,6-trimethyl-, (TDN)","TDN"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."}],"proteins":[]}