homosalate

Synonyms: "homomenthyl salicylate", "coppertone", "heliophan", "3,3,5-trimethylcyclohexyl salicylate", "heliopan", "filtersol A'', "m-homomenthyl 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: 262,3441

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Schlumpf M, Cotton B, Conscience M, Haller V, Steinmann B, Lichtensteiger W. 2001. In vitro and in vivo estrogenicity of UV screens. Environ Health Perspect 109(3):239-244.

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Keywords


2D-structure

3D-structure

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