2-sec-pentylphenol

Synonyms: "o-sec-amylphenol", "2-(1-methylbutyl)phenol", "2-sec-amylphenol", "2-sec-pentylphenol", "2-(pentan-2-yl)phenol"

Source: 2-sec-pentylphenol is used as a stabilizer of cyclic alkene compositions for the semiconductor industry.

Identifiers:

IUPAC Name: 2-pentan-2-ylphenol
CAS Number: 26401-74-1
PubChem ID: 99016
InChiKey: ROMXEVFSCNLHAB-UHFFFAOYSA-N
Canonical SMILES: CCCC(C)C1=CC=CC=C1O

Structural Properties:

Molecular Formula: C11H16O
Molecular Weight: 164,2441

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)
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3D structure (.pdbqt)

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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


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

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Keywords


2D-structure

3D-structure

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