4-nonylphenol

Synonyms: p-nonylphenol, "para-nonylphenol", "4-n-nonylphenol", "p-n-nonylphenol"

Source: 4-nonylphenol is commonly used as a raw material for making detergents, pesticides, anti-oxidants in plastics and rubbers, as a supplemental agent/stabilizer of polyvinyl chloride, as well as other uses.

Identifiers:

IUPAC Name: 4-nonylphenol
CAS Number: 104-40-5
PubChem ID: 1752
InChiKey: IGFHQQFPSIBGKE-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCCCC1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₅H₂₄O
Molecular Weight: 220.35

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

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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