4-n-hexylphenol

Synonyms: 4-hexylphenol"p-n-hexylphenol, "p-hexylphenol"

Source: 4-n-hexylphenol is used in reasearch for developing antimicrobial formulations.

Identifiers:

IUPAC Name: 4-hexylphenol
CAS Number: 2246-69-7
PubChem ID: 17132
InChiKey: SZWBRVPZWJYIHI-UHFFFAOYSA-N
Canonical SMILES: CCCCCCC1=CC=C(C=C1)O

Structural Properties:

Molecular Formula: C₁₂H₁₈O
Molecular Weight: 178.27

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 13

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Evidence Supporting This Chemical as an Emerging Contaminant

Liu, D., Liu, J., Guo, M., Xu, H., Zhang, S., Shi, L.,& Yao, C. (2016). Occurrence, distribution, and risk assessment of alkylphenols, bisphenol A, and tetrabromobisphenol A in surface water, suspended particulate matter, and sediment in Taihu Lake and its tributaries. Marine Pollution Bulletin 112, 142?150.

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