1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)- (CAS 89079-92-5) — Woody Base Note Fragrance Ingredient
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CAS 89079-92-5
What Is 1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-?
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)- is a synthetic fragrance ingredient used in niche perfumery to create unique woody-spicy accords. It’s found in avant-garde fragrances seeking unconventional olfactory profiles. This molecule matters because it offers perfumers a novel structural backbone for crafting distinctive dry-down notes that stand out from traditional materials.
Safety Profile
USE WITH AWARENESSWhat Does 1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)- Smell Like?
A complex interplay of woody and spicy facets with subtle herbaceous undertones. The initial impression suggests dried cedar shavings warmed by sun, evolving into a resinous heart reminiscent of aged frankincense. The dry-down reveals a sophisticated leathery nuance that lingers close to the skin, behaving like a molecular hybrid of vetiver and labdanum without their typical heaviness.
2D Molecular Structure
SMILES: CC(C)C1CCC(C)=CC11OC(C)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
This spirocyclic ether belongs to a rare class of oxygen-containing terpenoids. The bridged ring system creates unique conformational constraints that modify its volatility and odor characteristics compared to linear terpenes. Synthesis typically involves acid-catalyzed cyclization of appropriate terpene precursors, though published routes remain proprietary in the fragrance industry.
Physical & Chemical Properties
| Molecular Weight | Not publicly available |
|---|---|
| Structural Class | Spirocyclic ether |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Conceptual Fragrances | 0.1-0.5% | Up to 1% | Used for radical accords |
| Luxury Niche | 0.01-0.1% | Trace amounts | Signature effect dosing |
Classic Accords
Tip: Use micro-doses to add cutting-edge modernity to woody bases.
Alternatives & Comparisons
Offers similar structural novelty with more pronounced green-woody character.
Provides comparable radical wood effects with better understood performance.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
No RIFM assessment published as of 2023.
Sustainability
As a synthetic material, production involves petrochemical feedstocks. The complex synthesis likely requires significant energy input, though exact lifecycle data remains proprietary. Being used in ultra-low concentrations mitigates environmental impact per finished product.
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References
- PubChem Compound Summary (2023) PubChem CID unavailable
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 89079-92-5Physical Properties
| Molecular Weight | 206.32 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.3🔬 PubChem |
| Boiling Point | 261 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0129 mmHg @ 25°C📊 OPERA |
| Flash Point | 118.9 °C🔬 EPA CompTox |
| Involatility Index | 0.001💻 Calculated |
| log Kp (skin permeability) | -1.616💻 Calculated |
| SMILES | CC1C=CC2(O1)C=C(CCC2C(C)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.7 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | etheralkene💻 RDKit |
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: DTXSID4051407
Physical Properties
| Molecular Weight | 206.329 g/mol🔬 EPA CompTox |
| Density | 0.944 g/cm^3📊 OPERA |
| Boiling Point | 264.494 °C📊 OPERA |
| Melting Point | 21.556 °C📊 OPERA |
| Flash Point | 111.681 °C📊 OPERA |
| Refractive Index | 1.502 Dimensionless📊 OPERA |
| Molar Volume | 217.125 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.326 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.326 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.326 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.36 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.015 mmHg📊 OPERA |
| Viscosity | 2.535 cP📊 OPERA |
| Surface Tension | 29.709 dyn/cm📊 OPERA |
| Thermal Conductivity | 113.942 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 | 64.054 cm^3/mol📊 OPERA |
| Polarizability | 25.393 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.
