Oxacyclohexadecane-2,13-dione (CAS 38223-29-9) — Musky Base Note Fragrance Ingredient
Oxacyclohexadecane-2,13-dione
CAS 38223-29-9
What Is Oxacyclohexadecane-2,13-dione?
Oxacyclohexadecane-2,13-dione is a synthetic musk compound used in modern perfumery. It creates long-lasting, clean musk effects in laundry detergents, fabric softeners, and personal care products. This ingredient matters because it provides an alternative to traditional animal-derived musks, offering consistent performance and ethical sourcing in mass-market fragrances.
Safety Profile
GENERALLY SAFEWhat Does Oxacyclohexadecane-2,13-dione Smell Like?
Oxacyclohexadecane-2,13-dione delivers a crisp, modern musk character with exceptional tenacity. It opens with a clean laundry-like freshness reminiscent of sun-dried cotton, gradually revealing a subtle powdery undertone. The dry-down develops into a skin-hugging warmth with facets of freshly ironed linen and a whisper of soapy cleanness. Unlike animalic musks, it maintains a bright, airy quality throughout its evolution, making it ideal for functional fragrances where longevity and diffusion are paramount.
2D Molecular Structure
SMILES: O=C1CCCCCCCCCCC(=O)OCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
Oxacyclohexadecane-2,13-dione belongs to the macrocyclic musk family, synthesized through ring-closing metathesis or cyclization of long-chain diesters. Its sixteen-membered ring structure provides optimal volatility and receptor binding for musk olfaction. Modern synthesis routes employ catalytic processes to create this environmentally persistent fragrance material with high purity and consistent odor profile.
Physical & Chemical Properties
| Molecular Class | Macrocyclic musk |
|---|---|
| Typical Form | White crystalline powder |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Laundry Care | 0.1-0.5% | Up to 1% | Provides fabric substantivity |
| Fine Fragrance | 0.05-0.2% | Up to 0.5% | Modern musk base |
| Personal Care | 0.01-0.1% | Up to 0.3% | Long-lasting freshness |
Classic Accords
Tip: Use with hydrophilic carriers to improve solubility in aqueous systems.
Alternatives & Comparisons
More affordable macrocyclic musk with similar odor profile but slightly sweeter character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Listed on IFRA Transparency List.
RIFM Assessment
Under review by RIFM for environmental safety assessment.
Sustainability
As a synthetic musk, Oxacyclohexadecane-2,13-dione avoids the ecological impact of animal-derived musks. However, its environmental persistence requires careful wastewater management in manufacturing. Recent advances in catalytic synthesis have reduced energy consumption and byproduct formation during production.
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References
- IFRA Transparency List (2023). International Fragrance Association. IFRA Official
- Musk Compounds Database. EPA CompTox Chemicals Dashboard. EPA Reference
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorLayer 3 · Practical
- Molecular Weight: 254.36 g/mol
- LogP (XLogP): 3.80
Physicochemical Properties
DTXSID: DTXSID8074784
Physical Properties
| Molecular Weight | 254.37 g/mol🔬 EPA CompTox |
| Density | 0.958 g/cm^3📊 OPERA |
| Boiling Point | 360.715 °C📊 OPERA |
| Melting Point | 39.687 °C📊 OPERA |
| Flash Point | 184.385 °C📊 OPERA |
| Refractive Index | 1.443 Dimensionless📊 OPERA |
| Molar Volume | 267.874 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.775 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.775 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.775 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.67 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 5.989 cP📊 OPERA |
| Surface Tension | 30.992 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 43.37 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 71.042 cm^3/mol📊 OPERA |
| Polarizability | 28.163 Å^3📊 OPERA |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
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