Eugenol

Synonyms: eugenol, "4-Allyl-2-methoxyphenol", "4-Allylguaiacol", "Eugenic acid", "Allylguaiacol", "Caryophyllic acid", "p-Allylguaiacol", "p-Eugenol", "2-Methoxy-4-prop-2-enylphenol", "Engenol", "2-Methoxy-4-allylphenol", "2-Methoxy-4-(2-propenyl)phenol", "Phenol, 2-methoxy-4-(2-propenyl)-", "1,3,4-Eugenol", "4-Allylcatechol-2-methyl ether", "Synthetic eugenol", "2-Methoxy-1-hydroxy-4-allylbenzene", "4-Allyl-1-hydroxy-2-methoxybenzene", "1-Hydroxy-2-methoxy-4-allylbenzene", "5-Allylguaiacol", "1-Hydroxy-2-methoxy-4-prop-2-enylbenzene".

Source: Eugenol is a major component of the oils from clove, cinnamon, basil and nutmeg

Identifiers:

IUPAC Name: 2-methoxy-4-prop-2-enylphenol
CAS Number: 97-53-0
PubChem ID: 3314
InChiKey: RRAFCDWBNXTKKO-UHFFFAOYSA-N
Canonical SMILES: COC1=C(C=CC(=C1)CC=C)O

Structural Properties:

Molecular Formula: C₁₀H₁₂O₂
Molecular Weight: 164.2

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 12

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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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