Oxacycloheptadec-10-ene-2-one (CAS 28645-51-4) — Musky Base Note Fragrance Ingredient
Oxacycloheptadec-10-ene-2-one
CAS 28645-51-4
What Is Oxacycloheptadec-10-ene-2-one?
Oxacycloheptadec-10-ene-2-one is a synthetic musk compound used in modern perfumery to add depth and longevity to fragrances. It’s typically found in high-end perfumes and personal care products. This ingredient matters because it provides a clean, musky foundation that enhances other scent notes without overpowering them, making it a versatile tool for perfumers seeking subtle sophistication.
Safety Profile
GENERALLY SAFEWhat Does Oxacycloheptadec-10-ene-2-one Smell Like?
Oxacycloheptadec-10-ene-2-one presents as a refined, powdery musk with clean laundry undertones. It evolves from a faintly metallic opening to a soft, skin-like drydown reminiscent of sun-warmed cotton. The scent profile lacks animalic harshness, instead offering a modern interpretation of musk – like the memory of a freshly washed cashmere sweater blended with the faintest whisper of Ivory soap.
2D Molecular Structure
SMILES: O=C1CCCCCCCC=CCCCCCCO1
Chemistry, Properties & Perfumer Guide
The Chemistry
Oxacycloheptadec-10-ene-2-one belongs to the macrocyclic lactone class of musk compounds. These large-ring molecules mimic natural musk aromas without animal-derived ingredients. The compound is synthesized through ring-closing metathesis or Baeyer-Villiger oxidation routes, creating a 17-membered lactone structure that provides exceptional odor stability. Its specific ring size and oxygen placement contribute to both volatility characteristics and receptor binding affinity.
Physical & Chemical Properties
| Molecular Weight | 252.36 g/mol |
|---|---|
| XLogP | 5.2 (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Musk foundation |
| Detergents | 0.1-0.5% | Up to 1% | Lingering freshness |
| Cosmetics | 0.3-1% | Up to 3% | Skin-adherent note |
Classic Accords
Tip: Use at 0.5% to add invisible structure to floral compositions without altering their character.
Alternatives & Comparisons
More affordable macrocyclic musk with similar clean profile but slightly sweeter character.
Higher volatility musk for applications requiring faster diffusion while maintaining clean musk traits.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions. Listed on IFRA Transparency List for information only.
RIFM Assessment
Under review by RIFM for comprehensive safety assessment. Preliminary data suggests low sensitization potential.
Sustainability
As a synthetic molecule, oxacycloheptadec-10-ene-2-one avoids the ecological concerns of animal-derived musks. Production typically uses petrochemical feedstocks, though some manufacturers are exploring bio-based synthesis routes. The compound’s potency allows for low usage rates, reducing overall environmental load compared to less efficient musks.
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References
- IFRA Transparency List (2023). International Fragrance Association. IFRA Official
- Musk Compounds Review (2021). Flavour and Fragrance Journal.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorLayer 3 · Practical
- Molecular Weight: 252.39 g/mol
- LogP (XLogP): 5.50
Ingredient Data Sheet
CAS 28645-51-4Physical Properties
| Molecular Weight | 252.39 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5.5🔬 PubChem |
| Boiling Point | 185 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.335💻 Calculated |
| SMILES | C1CCCC=CCCCCCCOC(=O)CCC1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Functional Groups | esteretheralkene💻 RDKit |
| “diluted alcohol show practically no odor of 16-Hydroxy-A 7-hexadecenoic acid, Iactone. pleasant odor of the lactone. useful in fragrance types of delicately floral, mildly animal or Ambre4ike type. extremely tenacious floral-musky, sweet odor. At the same time it increases the diffusiveness of fragrances in 5-203; 27-43; 30-271 ; 31-178; 86-10; 106-46; which it is incorporated.”📖 Arctander | |
Sensory Thresholds
| Odor Detection Threshold | 0.012 ppm📖 van Gemert |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID3051965
Physical Properties
| Molecular Weight | 252.398 g/mol🔬 EPA CompTox |
| Density | 0.953 g/cm^3🔬 EPA CTX |
| Boiling Point | 356.319 °C📊 OPERA |
| Melting Point | 31.175 °C📊 OPERA |
| Flash Point | 168.094 °C📊 OPERA |
| Refractive Index | 1.445 Dimensionless📊 OPERA |
| Molar Volume | 282.408 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 6.51 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 5.712 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.712 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.91 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 5.88 cP📊 OPERA |
| Surface Tension | 28.857 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 75.127 cm^3/mol📊 OPERA |
| Polarizability | 29.783 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.
