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-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: 212,290

Pharmacophore Features:

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

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Evidence Supporting This Chemical as an Emerging Contaminant

Baldwin, A. K., Corsi, S. R., De Cicco, L. A., Lenaker, P. L., Lutz, M. A., Sullivan, D. J., & Richards, K. D. (2016). Organic contaminants in Great Lakes tributaries: Prevalence and potential aquatic toxicity. Science of the Total Environment, 554, 42-52.

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