3-(4-Methylbenzylidene)camphor

Synonyms: 4-Methylbenzylidene camphor, "3-(4-Methylbenzylidene)camphor", "1,7,7-Trimethyl-3-(4-methylbenzylidene)-norbornan-2-one".

Source: 3-(4-Methylbenzylidene) camphor is used as an UV filter in sunscreen lotions.

Identifiers:

IUPAC Name: (1S,3E,4R)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
CAS Number: 852541-30-1
PubChem ID: 6989205
InChiKey: HEOCBCNFKCOKBX-OYEVUCPFSA-N
Canonical SMILES: CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)C

Structural Properties:

Molecular Formula: C₁₈H₂₂O
Molecular Weight: 254.4

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 19

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Evidence Supporting This Chemical as an Emerging Contaminant

Kapelewska, J., Kotowska, U., Karpi?ska, J., Kowalczuk, D., Arciszewska, A., & Swirydo, A. (2018). Occurrence, removal,mass loading and environmental risk assessment of emerging organic contaminants in leachates, groundwaters and wastewaters. Microchemical Journal 137, 292?301.

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