1-Oxaspiro[4.5]deca-3,6-diene, 6-ethyl-2,10,10-trimethyl- (CAS 79893-63-3) — Woody Unknown Note Fragrance Ingredient
1-Oxaspiro[4.5]deca-3,6-diene, 6-ethyl-2,10,10-trimethyl-
CAS 79893-63-3
What Is 1-Oxaspiro[4.5]deca-3,6-diene, 6-ethyl-2,10,10-trimethyl-?
This synthetic fragrance ingredient is a specialized molecule used by perfumers to create unique olfactory effects. While not commonly encountered in everyday products, it may appear in niche or avant-garde fragrances. Its complex structure allows perfumers to craft distinctive scent profiles that stand out from traditional compositions.
Safety Profile
USE WITH AWARENESSWhat Does 1-Oxaspiro[4.5]deca-3,6-diene, 6-ethyl-2,10,10-trimethyl- Smell Like?
The odor profile of this molecule is not well-documented in public literature. As a synthetic spirocyclic compound, it likely contributes unique woody-ambergris or musky characteristics to fragrance compositions. The spiro structure may impart diffusion properties different from linear molecules, potentially offering long-lasting effects in the dry-down phase.
2D Molecular Structure
SMILES: CCC1=CCCC(C)(C)C11OC(C)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
This compound belongs to the class of spirocyclic ethers, characterized by their unique bridged ring structure where two rings share a single atom. The 1-oxaspiro[4.5]decane skeleton suggests potential stability and volatility properties that could make it useful in fragrance applications. While specific synthesis routes aren’t publicly documented, similar compounds are typically prepared through cyclization reactions of appropriate precursors.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Experimental Fragrance | Trace amounts | Up to 1% | Used for novel effects |
Classic Accords
Tip: Conduct small-scale trials to evaluate olfactory properties before incorporating into blends.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions found for this compound.
RIFM Assessment
No RIFM assessment found for this compound.
Sustainability
As a synthetic material, this compound’s environmental impact depends on production methods and scale. Without specific manufacturing data, sustainability considerations should focus on minimizing waste during experimental use and proper disposal of unused material.
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Physicochemical Properties
DTXSID: DTXSID5052545
Physical Properties
| Molecular Weight | 206.329 g/mol🔬 EPA CompTox |
| Density | 0.946 g/cm^3📊 OPERA |
| Boiling Point | 261.775 °C📊 OPERA |
| Melting Point | 18.735 °C📊 OPERA |
| Flash Point | 109.482 °C📊 OPERA |
| Refractive Index | 1.505 Dimensionless📊 OPERA |
| Molar Volume | 216.311 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.346 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.346 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.346 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.49 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.121 mmHg📊 OPERA |
| Viscosity | 3.548 cP📊 OPERA |
| Surface Tension | 30.153 dyn/cm📊 OPERA |
| Thermal Conductivity | 117.253 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 64.107 cm^3/mol📊 OPERA |
| Polarizability | 25.414 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.
