{"ymdb_id":"YMDB15942","created_at":"2016-08-03T23:49:28.000Z","updated_at":"2016-09-12T20:56:02.000Z","name":"2,4-di-tert-Butylphenol","cas":null,"state":"Solid","melting_point":null,"description":"2,6-di-tert-butylphenol is an organic compound with the structural formula 2,6-((CH3)3C)2C6H3OH. This colourless solid alkylated phenol and its derivatives are used industrially as UV stabilizer and an antioxidant for hydrocarbon-based products ranging from petrochemicals to plastics. Illustrative of its usefulness, it prevents gumming in aviation fuels.","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":"2,4-di-tert-butylphenol","traditional_iupac":"2,4-di-T-butylphenol","logp":"4.759793035666668","pka":null,"alogps_solubility":"3.14e-02 g/l","alogps_logp":"4.91","alogps_logs":"-3.82","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"20.23","refractivity":"65.3707","polarizability":"25.318669935839928","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-5.0082029842180384","pka_strongest_acidic":"10.867038275837476","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","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":[]}