4-Methylbenzylidene camphor

Synonyms: 4-Methylbenzylidene camphor, "Enzacamene", "1,7,7-trimethyl-3-[(4-methylphenyl)methylene]bicyclo[2.2.1]heptan-2-one", "Q-200329", "3-(4-Methylbenzylidene)camphor", "3-(4-Methylbenzylidene)-DL-camphor", "1,7,7-Trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one", "4-MBC"

Source: 4-Methylbenzylidene camphor is an ultraviolet light blocker used in cosmetics and sunscreen preparations.

Identifiers:

IUPAC Name: (3Z)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
CAS Number: 36861-47-9
PubChem ID: 6440721
InChiKey: HEOCBCNFKCOKBX-KAMYIIQDSA-N
Canonical SMILES: CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)C

Structural Properties:

Molecular Formula: C₁₈H₂₂O
Molecular Weight: 254,400

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

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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