3-Methylcyclopentadecanone

Synonyms: Muscone, "3-Methylcyclopentadecanone", "541-91-3", "3-Methylcyclopentadecan-1-one", "Methylexaltone", "Muskone", "3-Methyl-1-cyclopentadecanone", "5-Methyl-1-cyclopentadecanone", "3-methyl-cyclopentadecanone", "DL-3-methylcyclopentadecanone", "dl-muscone".

Source: Muscone (3-methylcyclopentadecanone) is used in perfumes and for scenting consumer products.

Identifiers:

IUPAC Name: 3-methylcyclopentadecan-1-one
CAS Number: 541-91-3
PubChem ID: 10947
InChiKey: ALHUZKCOMYUFRB-UHFFFAOYSA-N
Canonical SMILES: CC1CCCCCCCCCCCCC(=O)C1

Structural Properties:

Molecular Formula: C₁₆H₃₀O
Molecular Weight: 238.41

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17

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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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