4,4'-(4-methylpentane-2,2-diyl)diphenol

Synonyms: "4,4'-(1,3-dimethylbutylidene)diphenol", "4,4'-(4-methylpentane-2,2-diyl)diphenol", "4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol", "4,4'-(1,3-dimethylbutylidene)bisphenol", "2,2-bis(4-hydroxyphenyl)-4-methylpentane", "2,2-bis(4'-hydroxyphenyl)-4-methylpentane".

Source: 4,4'-(4-methylpentane-2,2-diyl)diphenol is used in polymer manufacturing.

Identifiers:

IUPAC Name: 4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol
CAS Number: 6807-17-6
PubChem ID: 81259
InChiKey: VHLLJTHDWPAQEM-UHFFFAOYSA-N
Canonical SMILES: CC(C)CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₈H₂₂O₂
Molecular Weight: 270.372

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 20

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Akahori Y, Nakai M, Yamasaki K, Takatsuki M, Shimohigashi Y, Ohtaki M. 2008. Relationship between the results of in vitro receptor binding assay to human estrogen receptor alpha and in vivo uterotrophic assay: Comparative study with 65 selected chemicals. Toxicol in Vitro 22(1):225-231. DOI: 10.1016/j.tiv.2007.08.004. URL: http://www.sciencedirect.com/science/article/pii/S0887233307002251?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.