1.0 2016-05-19 04:57:19 UTC 2026-08-22 11:18:04 UTC Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)- SmallMolecule Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)- belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 588.96 g/mol, Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)- is a heavy molecule. It has the chemical formula C33H56N4OS2. In industrial applications, this compound is utilized as an antioxidant and a heat stabilizer. It has been identified in eleven recorded sources, including drinking water and indoor air. It is also found in household items such as credit card holders, as well as food processing materials used for processing meats. Furthermore, it is present in electrical and electronic equipment, specifically in antennas, auxiliary devices, coils, communication cables or conductors, and electric switches, among two other devices. Recorded exposure routes for this substance include oral and inhalation. Tertiary butyl phenols 2,6-di-tert-butyl-4-(4,6-bis(octylthio)-1,3,5-triazin-2-ylamino)phenol C33H56N4OS2 588.96 588.389554787 4-{[4,6-bis(octylsulfanyl)-2,5-dihydro-1,3,5-triazin-2-ylidene]amino}-2,6-di-tert-butylphenol 4-{[4,6-bis(octylsulfanyl)-5H-1,3,5-triazin-2-ylidene]amino}-2,6-di-tert-butylphenol 991-84-4 CCCCCCCCSC1=NC(=NC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)N=C(N1)SCCCCCCCC InChI=1S/C33H56N4OS2/c1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8/h23-24,38H,9-22H2,1-8H3,(H,34,35,36,37) QRLSTWVLSWCGBT-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Phenylpropanes Alkyl-2-thio-S-triazines Alkylarylthioethers Aminotriazines Aniline and substituted anilines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Secondary amines Sulfenyl compounds p-Aminophenols 1,3,5-triazine Alkyl-2-thio-s-triazine Alkylarylthioether Amine Amino-1,3,5-triazine Aminophenol Aminotriazine Aniline or substituted anilines Aromatic heteromonocyclic compound Aryl thioether Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound P-aminophenol Phenol Phenylpropane Secondary amine Sulfenyl compound Thioether Triazine Aromatic heteromonocyclic compounds Detected and Not Quantified logp 13.4 logp 8.58 ALOGPS logs -7.22 ALOGPS solubility 3.52e-05 g/l ALOGPS logp 12.69 ChemAxon pka_strongest_acidic 5.92 ChemAxon pka_strongest_basic 0.086 ChemAxon iupac 4-{[4,6-bis(octylsulfanyl)-2,5-dihydro-1,3,5-triazin-2-ylidene]amino}-2,6-di-tert-butylphenol ChemAxon average_mass 588.96 ChemAxon mono_mass 588.389554787 ChemAxon smiles CCCCCCCCSC1=NC(=NC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)N=C(N1)SCCCCCCCC ChemAxon formula C33H56N4OS2 ChemAxon inchi InChI=1S/C33H56N4OS2/c1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8/h23-24,38H,9-22H2,1-8H3,(H,34,35,36,37) ChemAxon inchikey QRLSTWVLSWCGBT-UHFFFAOYSA-N ChemAxon polar_surface_area 69.34 ChemAxon refractivity 180.04 ChemAxon polarizability 74.4 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226ba0be0> 70431 63610