3-(4-Methyl-benzylidene) camphor

Synonyms: Enzacamene, "4-Methylbenzylidenecamphor", "4-Methylbenzylidene camphor", "Neo Heliopan MBC", "3-(p-Methylbenzylidene)camphor", "3-(4-Methylbenzylidene)camphor", "3-(p-Methylbenzylidene)-DL-camphor", "3-(4-Methylbenzylidene)-DL-camphor", "3-(p-Methylbenzylidene)bornan-2-one", "(+-)-3-(p-Methylbenzylidene)camphor", "4-MBC", "p-Methylbenzylidenecamphor".

Source: 3-(4-Methyl-benzylidene) camphor (Eusolex 6300) is a sunscreening agent

Identifiers:

IUPAC Name: (1R,3E,4S)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
CAS Number: 36861-47-9
PubChem ID: 7019255
InChiKey: HEOCBCNFKCOKBX-RELGSGGGSA-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

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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