1.0 2016-05-19 02:57:54 UTC 2026-05-14 19:08:17 UTC Phenol, 2,2'-methylenebis(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- SmallMolecule Phenol, 2,2'-methylenebis(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 658.89 g/mol, Phenol, 2,2'-methylenebis(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- is a heavy molecule. Its chemical formula is C41H50N6O2. Industrially, this compound serves as a stabilizing agent and a UV stabilizer. It is identified in nine recorded sources, including building and construction materials such as ceilings, and household cleaning and consumer products, specifically non electric simulated smoking devices. It is also found in food contact materials used in food, food processing, and cookware. Additionally, the compound is associated with electrical and electronic equipment, including magnets, communication cables or conductors, antennas, gas filled discharge tubes with solid cathode, and line transmission systems. Recorded exposure routes for this substance include oral, inhalation, and touch. 2,2`-Methylenebis[6-(benzotriazol-2-yl)-4-ter-octylphenol] Bisoctrizole C41H50N6O2 658.891 658.399524874 2-(2H-1,2,3-benzotriazol-2-yl)-6-{[3-(2H-1,2,3-benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl}-4-(2,4,4-trimethylpentan-2-yl)phenol bisoctrizole 103597-45-1 CC(C)(C)CC(C)(C)C1=CC(CC2=C(O)C(=CC(=C2)C(C)(C)CC(C)(C)C)N2N=C3C=CC=CC3=N2)=C(O)C(=C1)N1N=C2C=CC=CC2=N1 InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3 FQUNFJULCYSSOP-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Diphenylmethanes Diphenylmethanes Azacyclic compounds Benzotriazoles Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Phenols Phenyl-1,2,3-triazoles Phenylpropanes 1,2,3-triazole Aromatic heteropolycyclic compound Azacycle Azole Benzotriazole Diphenylmethane Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenyl-1,2,3-triazole Phenylpropane Phenyltriazole Triazole Aromatic heteropolycyclic compounds Detected and Not Quantified Bisoctrizole Drug Metabolism Action Pathway SMP0144659 logp 11.84 logp 8.65 ALOGPS logs -6.16 ALOGPS solubility 4.58e-04 g/l ALOGPS logp 11.84 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -0.082 ChemAxon iupac 2-(2H-1,2,3-benzotriazol-2-yl)-6-{[3-(2H-1,2,3-benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl}-4-(2,4,4-trimethylpentan-2-yl)phenol ChemAxon average_mass 658.891 ChemAxon mono_mass 658.399524874 ChemAxon smiles CC(C)(C)CC(C)(C)C1=CC(CC2=C(O)C(=CC(=C2)C(C)(C)CC(C)(C)C)N2N=C3C=CC=CC3=N2)=C(O)C(=C1)N1N=C2C=CC=CC2=N1 ChemAxon formula C41H50N6O2 ChemAxon inchi InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3 ChemAxon inchikey FQUNFJULCYSSOP-UHFFFAOYSA-N ChemAxon polar_surface_area 101.88 ChemAxon refractivity 220.17 ChemAxon polarizability 76.35 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722728e240> DB11262 3571576 2808671