octylphenol

Synonyms: "octyl phenol", "tert-octylphenol", "o-tert-octylphenol", "2-(1,1,3,3-tetramethylbutyl)phenol", "2-(1,1,3,3-tetramethylbutyl)phenol", "2-(2,4,4-trimethylpentan-2-yl)phenol"

Source: octylphenol is used in the production of phenolic resins and lacquers.

Identifiers:

IUPAC Name: 2-(2,4,4-trimethylpentan-2-yl)phenol
CAS Number: 67554-50-1
PubChem ID: 62530
InChiKey: XSXWOBXNYNULJG-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC=CC=C1O

Structural Properties:

Molecular Formula: C14H22O
Molecular Weight: 206,3239

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 15

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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


Fan WQ, Yanase T, Morinaga H, Gondo S, Okabe T, Nomura M, Komatsu T, Morohashi K-I, Hayes TB, Takayanagi R, Nawata H. 2007. Atrazine-induced aromatase expression is SF-1 dependent: implications for endocrine disruption in wildlife and reproductive cancers in humans. Environ Health Perspect 115(5):720-727.

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