Homosalate

Synonyms: Homosalate, "Coppertone", "Homomenthyl salicylate", "3,3,5-trimethylcyclohexyl salicylate", "Heliopan", "Heliophan", "Filtersol ''A''", "m-Homomenthyl salicylate", "Homosalatum", "Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester", "3,3,5-Trimethylcyclohexyl 2-hydroxybenzoate", "Salicylic acid, m-homomenthyl ester", "Metahomomenthyl salicylate"

Source: homosalate is a common sunscreen ingredient.

Identifiers:

IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
CAS Number: 118-56-9
PubChem ID: 8362
InChiKey: WSSJONWNBBTCMG-UHFFFAOYSA-N
Canonical SMILES: CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O

Structural Properties:

Molecular Formula: C₁₆H₂₂O₃
Molecular Weight: 262,340

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 19

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Emerging Contaminant

Barroso, P. J., Santos, J. L., Mart?n, J., Aparicio, I., & Alonso, E. (2019). Emerging contaminants in the atmosphere: Analysis, occurrence and future challenges. Critical Reviews in Environmental Science and Technology, 49(2), 104-171.

External Links

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2D-structure

3D-structure