2-benzylphenol

Synonyms: "2-hydroxydiphenylmethane", "o-benzylphenol", "benzylphenol", "2-benzyl-phenol", "2-(phenylmethyl)phenol", "alpha-phenyl-o-cresol", "Delegol T", "2-benzyl phenol", "2-hydyoxydiphenylmethane", "2-hydroxy diphenylmethane", "a-phenyl-o-cresol".

Source: 2-Benzylphenol is a starting reagent for synthesis of 2-benzylacetate. It is also useful for synthesis of 6- and 8-benzyl derivatives of 2-(dialkylamino)chromones, and as an efficient and selective extractant for cesium.

Identifiers:

IUPAC Name: 2-benzylphenol
CAS Number: 28994-41-4
PubChem ID: 24216
InChiKey: CDMGNVWZXRKJNS-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2O

Structural Properties:

Molecular Formula: C₁₃H₁₂O
Molecular Weight: 184.238

Pharmacophore Features:

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

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

Schultz TW, Sinks GD, Cronin MT. 2002. Structure-activity relationships for gene activation oestrogenicity: evaluation of a diverse set of aromatic chemicals. Environmental Toxicology 17(1):14-23. DOI: 10.1002/tox.10027. URL: http://onlinelibrary.wiley.com/doi/10.1002/tox.10027/abstract.