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.

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2D-structure

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