4-tert-butylbenzoic acid

Synonyms: "4-tert-butylbenzoic acid", "4-(tert-butyl)benzoic acid", "TBBA", "p-tert-butylbenzoic acid", "4-t-butylbenzoic acid", "4-tert-Butyl-benzoic acid", "p-t-butylbenzoic acid", "4-tert-butylbenzoicacid".

Source: 4-Tert-butylbenzoic acid is addded as a stabilizer or modifier for alkyd resin and as a corrosion inhibitor in cooling fluids.

Identifiers:

IUPAC Name: 4-tert-butylbenzoic acid
CAS Number: 98-73-7
PubChem ID: 7403
InChiKey: KDVYCTOWXSLNNI-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)O

Structural Properties:

Molecular Formula: C₁₁H₁₄O₂
Molecular Weight: 178.231

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 13

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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.