4-sec-butylphenol

Synonyms: "p-sec-butylphenol", "4-(1-methylpropyl)phenol", "1-hydroxy-4-sec-butylbenzene"

Source: 4-sec-butylphenol is an alkylphenol. The vast majority of alkylphenols are used to synthesize derivatives which have applications ranging from surfactants to pharmaceuticals.

Identifiers:

IUPAC Name: 4-butan-2-ylphenol
CAS Number: 99-71-8
PubChem ID: 7453
InChiKey: ZUTYZAFDFLLILI-UHFFFAOYSA-N
Canonical SMILES: CCC(C)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C10H14O
Molecular Weight: 150,2176

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 11

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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.
Soto 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).
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.

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