Oxacyclohexadec-13-en-2-one, (13E)- (CAS 99219-32-6) — Musky Base Note Fragrance Ingredient
Oxacyclohexadec-13-en-2-one, (13E)-
CAS 99219-32-6
What Is Oxacyclohexadec-13-en-2-one, (13E)-?
Oxacyclohexadec-13-en-2-one, (13E)- is a synthetic musk used in high-end perfumes and personal care products. You’ll encounter it in luxury fragrances where it contributes to long-lasting, velvety dry-downs. This ingredient matters because it provides modern musk alternatives that are more stable and versatile than traditional animal-derived musks, aligning with contemporary ethical standards while delivering sophisticated scent profiles.
Safety Profile
GENERALLY SAFEWhat Does Oxacyclohexadec-13-en-2-one, (13E)- Smell Like?
This synthetic musk unfolds like a warm embrace – initially clean and slightly powdery, like sun-dried linen, before deepening into a skin-like intimacy reminiscent of warm amber. Over hours, it transforms into a velvety trail that lingers close to the body, with subtle animalic undertones that never overwhelm. The dry-down carries whispers of expensive soap and cashmere, making it ideal for fragrances that aim for sophistication without heaviness.
2D Molecular Structure
SMILES: O=C1CCCCCCCCCC\C=C\CCO1
Chemistry, Properties & Perfumer Guide
The Chemistry
Oxacyclohexadec-13-en-2-one belongs to the macrocyclic musk family, characterized by their large ring structures that mimic natural musk compounds. These synthetic musks were developed to replace animal-derived musks, offering superior stability and consistency. The (13E)- configuration refers to the specific geometric isomerism of the double bond, which significantly impacts odor characteristics. Modern synthesis typically involves ring-closing metathesis or controlled oxidation processes to achieve the desired stereochemistry.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Provides musky foundation |
| Body Care | 0.5-1% | Up to 2% | Skin-scent enhancer |
Classic Accords
Tip: Use with ionones to create seamless floral-musk transitions.
Alternatives & Comparisons
For a softer, more diffusive musk character in lighter formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA
RIFM Assessment
RIFM has assessed similar macrocyclic musks as safe at current usage levels.
Sustainability
As a synthetic ingredient, this musk avoids the ethical concerns of animal-derived musks while offering consistent quality. Modern production methods have significantly reduced environmental impact compared to early synthetic musk manufacturing processes. The long-lasting nature means less frequent reapplication is needed, potentially reducing overall product consumption.
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Layer 3 · Practical
- Molecular Weight: 238.37 g/mol
- LogP (XLogP): 5.40
Physicochemical Properties
DTXSID: DTXSID1074412
Physical Properties
| Molecular Weight | 238.371 g/mol🔬 EPA CompTox |
| Density | 0.919 g/cm^3📊 OPERA |
| Boiling Point | 341.057 °C📊 OPERA |
| Melting Point | 29.317 °C📊 OPERA |
| Flash Point | 162.525 °C📊 OPERA |
| Refractive Index | 1.446 Dimensionless📊 OPERA |
| Molar Volume | 264.67 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.888 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.888 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.888 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.53 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 | 5.393 cP📊 OPERA |
| Surface Tension | 29.053 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 | 70.515 cm^3/mol📊 OPERA |
| Polarizability | 27.955 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.
