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: 164.244

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)
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3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Mueller GC, Kim UH. 1978. Displacement of estradiol from estrogen receptors by simple alkyl phenols. Endocrinology 102(5):1429-1435.

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