4-benzylphenol

Synonyms: "fesiasept", "p-benzylphenol", "4-hydroxydiphenylmethane", "4-hydroxyditane", "4-(phenylmethyl)phenol", "alpha-phenyl-p-cresol"

Source: 4-benzylphenol is used in plastics as a germicide, antiseptic and a preservative.

Identifiers:

IUPAC Name: 4-benzylphenol
CAS Number: 101-53-1
PubChem ID: 7563
InChiKey: HJSPWKGEPDZNLK-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₃H_12O
Molecular Weight: 184.234

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 14

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2D structure (.sdf)
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

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.

Hashimoto Y, Moriguchi Y, Oshima H, Kawaguchi M, Miyazaki K, Nakamura M. 2001. Measurement of estrogenic activity of chemicals for the development of new dental polymers. Toxicol in Vitro 15(4-5):421-425.

Kitamura S, Sanoh S, Kohta R, Suzuki T, Sugihara K, Fujimoto N, Ohta S. 2003. Metabolic activation of proestrogenic diphenyl and related compounds by rat liver microsomes. Journal of Health Science 49(4):298-310.

Yamasaki K, Takeyoshi M, Sawaki M, Imatanaka N, Shinoda K, Takatsuki M. 2003. Immature rat uterotrophic assay of 18 chemicals and Hershberger assay of 30 chemicals. Toxicology 183(1-3):93-115.

Yamasaki K, Takeyoshi M, Yakabe Y, Sawaki M, Takatsuki M. 2003. Comparison of the reporter gene assay for ERalpha antagonists with the immature rat uterotrophic assay of 10 chemicals. Toxicol Lett 142(1-2):119-131.