Oxacyclohexadecan-2-one

Synonyms: Oxacyclohexadecan-2-one, "Cyclopentadecanolide", "Pentadecanolide", "Exaltolide", "15-Pentadecanolide", "Thibetolide", "Pentalide", "Pentadecan-15-olide", "PentadeENTADECALACTONE", "15-Pentadecanolactone", "Muskolactone", "Muskalactone", "2-Pentadecalone", "1,15-Pentadecanolide", "omega-Pentadecalactone", "Pentadecanolactone", "15-Hydroxypentadecanoic acid lactone", "1-oxacyclohexadecan-2-one", "1-Oxa-2-cyclohexadecanone", "Cyclopentadecanolactone", "pentadecano-15-lactone", "15-Hydroxypentadecanoic acid, lactone".

Source: Oxacyclohexadecan-2-one is a valuable musk odorant which occurs in angelica root oil.

Identifiers:

IUPAC Name: oxacyclohexadecan-2-one
CAS Number: 106-02-5
PubChem ID: 235414
InChiKey: FKUPPRZPSYCDRS-UHFFFAOYSA-N
Canonical SMILES: C1CCCCCCCOC(=O)CCCCCC1

Structural Properties:

Molecular Formula: C₁₅H₂₈O₂
Molecular Weight: 240,387

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
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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