4-isobutylphenol

Synonyms: "p-Isobutylphenol", "4-(2-methylpropyl)phenol", "4-Isobutyl-phenol".

Source: 4-isobutylphenol is a product of transformation of 4-tert-butylphenol, which is used in fuels and lubricants, as well as an antioxidant for polymer compositions. P-isobutylphenol is also a degradation product of ibuprofen that has shown antibiotic activity.

Identifiers:

IUPAC Name: 4-(2-methylpropyl)phenol
CAS Number: 4167-74-2
PubChem ID: 123212
InChiKey: GDEHXPCZWFXRKC-UHFFFAOYSA-N
Canonical SMILES: CC(C)CC1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C10H14O
Molecular Weight: 150.221

Pharmacophore Features:

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

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Tollefsen KE, Eikvar S, Finne EF, Fogelberg O, Gregersen IK. 2008. Estrogenicity of alkylphenols and alkylated non-phenolics in a rainbow trout (Oncorhynchus mykiss) primary hepatocyte culture. Ecotoxicol Environ Saf 71(2):370-383. DOI: 10.1016/j.ecoenv.2007.10.006. URL: https://www.sciencedirect.com/science/article/pii/S0147651307002400?via%3Dihub.

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