p-isoamylphenol

Synonyms: "4-isopentylphenol", "p-isoamylphenol", "4-(3-methylbutyl)phenol", "p-isopentylphenol", "p-isoamyl phenol", "4-iso-pentylphenol".

Source: p-isoamylphenol belong to the group of alkyl phenols, which are commonly used as precursors to detergents, as additives for fuels and lubricants, polymers, and phenolic resins, among others.

Identifiers:

IUPAC Name: 4-(3-methylbutyl)phenol
CAS Number: 1805-61-4
PubChem ID: 96294
InChiKey: YSNKZJBCZRIRQO-UHFFFAOYSA-N
Canonical SMILES: CC(C)CCC1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C11H16O
Molecular Weight: 164.248

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)
3D structure (.pdb)
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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. DOI: 10.1210/endo-102-5-1429. URL: https://academic.oup.com/endo/article-abstract/102/5/1429/2618306?redirectedFrom=fulltextSoto AM, Lin TM, Justicia H, Silvia RM, Sonnenschein C. 1992. An "in culture" bioassay to assess the estrogenicity of xenobiotics (E-SCREEN). In: Colborn T, Clement C, eds. Chemically Induced Alterations in Sexual and Functional Development: The Wildlife/Human Connection. Princeton, NJ: Princeton Scientific Publishing Co., Inc. p 295-309. (Mehlman MA, ed. Advances in Modern Environmental Toxicology, 21). URL: https://www.researchgate.net/publication/279545346_An_%27in_culture%27_bioassay_to_assess_the_estrogenicity_of_xenobiotics_E-_SCREEN.
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. DOI: 10.2307/3432519 . URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1518887/.