4-cumylphenol

Synonyms: "4-cumylphenol", "p-Cumylphenol", "4-(2-phenylpropan-2-yl)phenol", "p-cumyl phenol", "4-(1-methyl-1-phenylethyl)phenol", "4-alpha-cumylphenol", "4-(dimethylphenylmethyl)phenol", "4-(2-phenylisopropyl)phenol", "4-Hydroxydiphenyldimethylmethane", "2-phenyl-2-(4-hydroxyphenyl)propane", "2-phenyl-2-(p-hydroxyphenyl)propane", "p-(alpha-cumenyl)phenol", "p-(alpha,alpha-dimethylbenzyl)phenol", "4-(1-methyl-1-phenethyl)phenol".

Source: 4-Cumylphenol is used in surfactants, phenolic resins and as polycarbonate chain terminator.

Identifiers:

IUPAC Name: 4-(2-phenylpropan-2-yl)phenol
CAS Number: 599-64-4
PubChem ID: 11742
InChiKey: QBDSZLJBMIMQRS-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₅H₁₆O
Molecular Weight: 212.292

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 16

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Fang H, Tong WD, Branham WS, Moland CL, Dial SL, Hong HX, Xie Q, Perkins R, Owens W, Sheehan DM. 2003. Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor. Chem Res Toxicol 16(10):1338-1358. DOI: 10.1021/tx030011g. URL: http://pubs.acs.org/doi/abs/10.1021/tx030011g.
Matsushima A, Teramoto T, Okada H, Liu X, Tokunaga T, Kakuta Y, Shimohigashi Y. 2008. ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner. Biochem Biophys Res Commun 373(3):408-413. DOI: 10.1016/j.bbrc.2008.06.050. URL: https://www.sciencedirect.com/science/article/pii/S0006291X08011807?via%3Dihub.
Terasaki M, Shiraishi F, Nishikawa T, Edmonds JS, Morita M, Makino M. 2005. Estrogenic activity of impurities in industrial grade bisphenol A. Environ Sci Technol 39(10):3703-3707. DOI: 10.1021/es048932g. URL: http://pubs.acs.org/doi/abs/10.1021/es048932g?journalCode=esthag.