Habanolide
Synonyms: oxacyclohexadec-11-en-2-one.
Source: Habanolide is a traditional white musk. Helvetolide has ambrette, pear and floral qualities.
Identifiers:
IUPAC Name: (11E)-1-oxacyclohexadec-11-en-2-one
CAS Number: 111879-80-2
PubChem ID: 11107424
InChiKey: MTTKFVBUVGIIIF-GQCTYLIASA-N
Canonical SMILES: C1CCCCC(=O)OCCCCC=CCCC1
Structural Properties:
Molecular Formula: C15H26O2
Molecular Weight: 238.37
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.