2,4,6-tri-tert-butylphenol

Synonyms: "2,4,6-tri-tert-butylphenol", "Voidox", "Alkofen B", "2,4,6-Tris(tert-butyl)phenol", "2,4,6-Tri-t-butylphenol", "2,4,6-tritert-butylphenol", "2,4,6-tris(1,1-dimethylethyl)phenol", "P 23", "tris(1,1-dimethylethyl)phenol", "2,4,6-tri-tert-butyl phenol", "2,4,6-tri-tert-butyl-1-hydroxybenzene", "2,4,6-tri(tert-butyl)phenol".

Source: 2,4,6-Tri-tert-butylphenol is the starting material for the synthesis of 2,6-di-tert-butyl-4-methoxyphenol which is a powerful antioxidant.

Identifiers:

IUPAC Name: 2,4,6-tritert-butylphenol
CAS Number: 732-26-3
PubChem ID: 12902
InChiKey: PFEFOYRSMXVNEL-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Structural Properties:

Molecular Formula: C₁₈H₃₀O
Molecular Weight: 262.437

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 19

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Tollefsen KE, Eikvar S, Finne EF, Fogelberg O, Gregersen IK. 2008. Estrogenicity of alkylphenols and alkylated non-phenolics in a rainbow trout (Oncorhynchus mykiss) primary hepatocyte culture. Ecotoxicol Environ Saf 71(2):370-383. DOI: 10.1016/j.ecoenv.2007.10.006. URL: https://www.sciencedirect.com/science/article/pii/S0147651307002400?via%3Dihub.