2-tert-butylphenol

Synonyms: "2-(tert-butyl)phenol", "2-t-butylphenol", "o-t-butylphenol", "o-tert-butylphenol", "2-(1,1-dimethylethyl)phenol", "2-tert-butyl-1-hydroxybenzene", "t-butylphenol", "ortho-tert-butylphenol".

Source: 2-tert-butylphenol is an intermediate for pesticides, fragrances and other products.

Identifiers:

IUPAC Name: 2-tert-butylphenol
CAS Number: 88-18-6
PubChem ID: 6923
InChiKey: WJQOZHYUIDYNHM-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1=CC=CC=C1O

Structural Properties:

Molecular Formula: C₁₀H₁₄O
Molecular Weight: 150.221

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 11

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

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Shiizaki K, Asai S, Ebata S, Kawanishi M, Yagi T. 2010. Establishment of Yeast Reporter Assay Systems to Detect Ligands of Thyroid Hormone Receptors alpha and beta. Toxicol In Vitro 24(2):638-644. DOI: 10.1016/j.tiv.2009.10.001. URL: https://www.sciencedirect.com/science/article/pii/S0887233309002938?via%3Dihub.