4-tert-octylphenol

Synonyms: p-tert-octylphenol, "4-t-octylphenol", "4-(1,1,3,3-tetramethylbutyl)phenol,"para-tert-octylphenol"

Source: 4-tert-octylphenol is used in production of phenol/formaldehyde resins.

Identifiers:

IUPAC Name: 4-(2,4,4-trimethylpentan-2-yl)phenol
CAS Number: 140-66-9
PubChem ID: 8814
InChiKey: ISAVYTVYFVQUDY-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₄H₂₂O
Molecular Weight: 206.32

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 15

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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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