4-n-octylphenol

Synonyms: 4-octylphenol, "p-octylphenol", "4-n-octylphenol", "para-octylphenol", "1-(p-hydroxyphenyl)octane"

Source: 4-n-octylphenol is used in the manufacture of surfactants, plasticizers and other chemicals.

Identifiers:

IUPAC Name: 4-octylphenol
CAS Number: 1806-26-4
PubChem ID: 15730
InChiKey: NTDQQZYCCIDJRK-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCCC1=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

Kapelewska, J., Kotowska, U., Karpi?ska, J., Kowalczuk, D., Arciszewska, A., & Swirydo, A. (2018). Occurrence, removal,mass loading and environmental risk assessment of emerging organic contaminants in leachates, groundwaters and wastewaters. Microchemical Journal 137, 292?301.

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