benzyl salicylate

Synonyms: benzyl salicylate, "benzyl 2-hydroxybenzoate", "benzyl o-hydroxybenzoate", "salicylic acid, benzyl ester", "phenylmethyl 2-hydroxybenzoate", "salicylic Acid Benzyl Ester", "salicyclic acid, benzyl ester", "salicylsaeurebenzylester", "salicyclic acid benzyl ester", "2-hydroxybenzoic acid phenylmethyl ester", "2-hydroxybenzoic acid, phenylmethyl ester".

Source: Benzyl salicylate is used as stabilizer in fragrance compositions and sunscreens.

Identifiers:

IUPAC Name: benzyl 2-hydroxybenzoate
CAS Number: 118-58-1
PubChem ID: 8363
InChiKey: ZCTQGTTXIYCGGC-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O

Structural Properties:

Molecular Formula: C₁₄H₁₂O₃
Molecular Weight: 228.25

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 17

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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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