Methyl salicylate

Synonyms: methyl salicylate, "Methyl 2-hydroxybenzoate", "119-36-8", "Wintergreen oil", "Gaultheria oil", "Betula oil", "Teaberry oil", "Sweet birch oil", "Analgit", "Spicewood Oil", "2-Carbomethoxyphenol", "Wintergruenoel", "2-Hydroxybenzoic acid methyl ester", "Gaultheriaoel", "Flucarmit", "Exagien", "Betula", "Methyl o-hydroxybenzoate", "2-(Methoxycarbonyl)phenol", "Natural Wintergreen Oil", "Betula Lenta", "BIRCH-ME", "Salicylic acid, methyl ester", "Synthetic Wintergreen Oil", methyl ester", "Gaultheria oil, artificial"

Source: Methyl salicylate is a ubiquitous component of many leaf and floral blends. It is used in perfumery, and as a flavoring material. Besides, it is used in the treatment of rheumatism and neuralgia, among others.

Identifiers:

IUPAC Name: methyl 2-hydroxybenzoate
CAS Number: 119-36-8
PubChem ID: 4133
InChiKey: OSWPMRLSEDHDFF-UHFFFAOYSA-N
Canonical SMILES: COC(=O)C1=CC=CC=C1O

Structural Properties:

Molecular Formula: C₈H₈O₃
Molecular Weight: 152,150

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 11

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Evidence Supporting This Chemical as an Emerging Contaminant

Baldwin, A. K., Corsi, S. R., De Cicco, L. A., Lenaker, P. L., Lutz, M. A., Sullivan, D. J., & Richards, K. D. (2016). Organic contaminants in Great Lakes tributaries: Prevalence and potential aquatic toxicity. Science of the Total Environment, 554, 42-52.

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