4-tert-pentylphenol

Synonyms: "p-tert-amylphenol", "4-tert-amylphenol", "4-tert-pentylphenol", "4-t-amylphenol", "amilfenol", "amilphenol"

Source: 4-tert-pentylphenol is used as a chemical intermediate for the production of phenolic resins.

Identifiers:

IUPAC Name: 4-(2-methylbutan-2-yl)phenol
CAS Number: 80-46-6
PubChem ID: 6643
InChiKey: NRZWYNLTFLDQQX-UHFFFAOYSA-N
Canonical SMILES: CCC(C)(C)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₁H₁₆O
Molecular Weight: 164.244

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 12

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3D structure (.sdf)
3D structure (.mol2)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Mueller GC, Kim UH. 1978. Displacement of estradiol from estrogen receptors by simple alkyl phenols. Endocrinology 102(5):1429-1435.

Nishihara T, Nishikawa J, Kanayama T, Dakeyama F, Saito K, Imagawa M, Takatori S, Kitagawa Y, Hori S, Utsumi H. 2000. Estrogenic activities of 517 chemicals by yeast two-hybrid assay. Journal of Health Science 46(4):282-298.

Schultz TW, Sinks GD, Cronin MTD. 2000. Effect of substituent size and dimensionality on potency of phenolic xenoestrogens evaluated with a recombinant yeast assay. Environ Toxicol Chem 19(11):2637-2642.

Soto AM, Sonnenschein C, Chung KL, Fernandez MF, Olea N, Serrano FO. 1995. The E-SCREEN assay as a tool to identify estrogens: An update on estrogenic environmental pollutants. Environ Health Perspect 103 (Suppl. 7):113-122.