1,4-Dioxacyclohexadecane-5,16-dione

Synonyms: 1,4-dioxacyclohexadecane-5,16-dione, "Muskonate", "Ethylene dodecanedioate", "Ethylenedodecanedioate", "Ethylene cyclic dodecanedioate", "Cyclic ethylene dodecanedioate", "Arova 16", "Arova N", "ethylene dodecandioate", "ethylene 1,12-dodecanedioate".

Source: 1,4-Dioxacyclohexadecane-5,16-dione is a synthetic musk fragrance.

Identifiers:

IUPAC Name: 1,4-dioxacyclohexadecane-5,16-dione
CAS Number: 54982-83-1
PubChem ID: 41270
InChiKey: GJJSUPSPZIZYPM-UHFFFAOYSA-N
Canonical SMILES: C1CCCCCC(=O)OCCOC(=O)CCCC1

Structural Properties:

Molecular Formula: C₁₄H₂₄O₄
Molecular Weight: 256,339

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 18

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

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.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure