1.0 2016-05-19 03:27:08 UTC 2026-08-22 12:04:46 UTC Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl- SmallMolecule Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl- belongs to the cinnamylphenols, a subclass of linear 1,3-diarylpropanoids within the organic compounds. With an average molecular weight of 544.82 g/mol, Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl- is a heavy molecule with the chemical formula C37H52O3. In industrial applications, this compound serves as an antioxidant, plasticizer, film former, and solvent. It is associated with polycarbonate plastics, although it remains unspecified within that material. The compound has been identified in eight recorded sources, including food contact materials and drinking water and water supply. It is also found in indoor air, dust, and atmospheric transport, as well as electrical and electronic equipment such as antennas, communication cables or conductors, gas filled discharge tubes with solid cathode, discharge lamps, and power cables. Recorded routes of exposure include touch, oral, and inhalation. Phenolic Antioxidant 4,4',4''-(1-methylpropanyl-3-ylidene)tris[6-tert-butyl-m-cresol] C37H52O3 544.82 544.391645534 4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol 4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol 1843-03-4 CC(CC(C1=CC(=C(O)C=C1C)C(C)(C)C)C1=CC(=C(O)C=C1C)C(C)(C)C)C1=CC(=C(O)C=C1C)C(C)(C)C InChI=1S/C37H52O3/c1-21(25-18-29(35(5,6)7)32(38)15-22(25)2)14-28(26-19-30(36(8,9)10)33(39)16-23(26)3)27-20-31(37(11,12)13)34(40)17-24(27)4/h15-21,28,38-40H,14H2,1-13H3 PRWJPWSKLXYEPD-UHFFFAOYSA-N Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Cinnamylphenols Cinnamylphenols 1-hydroxy-2-unsubstituted benzenoids Diphenylmethanes Hydrocarbon derivatives Meta cresols Organooxygen compounds Phenylpropanes Sesquiterpenoids Toluenes 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Cinnamylphenol Cyclofarsesane sesquiterpenoid Diphenylmethane Hydrocarbon derivative M-cresol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Phenylpropane Sesquiterpenoid Toluene Aromatic homomonocyclic compounds Detected and Not Quantified logp 11.5 logp 8.09 ALOGPS logs -7.13 ALOGPS solubility 4.01e-05 g/l ALOGPS logp 11.93 ChemAxon pka_strongest_acidic 10.38 ChemAxon pka_strongest_basic -5 ChemAxon iupac 4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol ChemAxon average_mass 544.82 ChemAxon mono_mass 544.391645534 ChemAxon smiles CC(CC(C1=CC(=C(O)C=C1C)C(C)(C)C)C1=CC(=C(O)C=C1C)C(C)(C)C)C1=CC(=C(O)C=C1C)C(C)(C)C ChemAxon formula C37H52O3 ChemAxon inchi InChI=1S/C37H52O3/c1-21(25-18-29(35(5,6)7)32(38)15-22(25)2)14-28(26-19-30(36(8,9)10)33(39)16-23(26)3)27-20-31(37(11,12)13)34(40)17-24(27)4/h15-21,28,38-40H,14H2,1-13H3 ChemAxon inchikey PRWJPWSKLXYEPD-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 171.25 ChemAxon polarizability 65.59 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226bdf840> 92905 83868