Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene (CAS 71735-79-0) — Woody Base Note Fragrance Ingredient
Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CAS 71735-79-0
What Is Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene is a synthetic fragrance compound used in modern perfumery. It’s found in niche and avant-garde fragrances seeking unique woody-amber effects. This ingredient matters because it provides perfumers with a novel molecular structure that can’t be replicated with traditional naturals, allowing for innovative scent profiles.
Safety Profile
USE WITH AWARENESSWhat Does Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene Smell Like?
This synthetic molecule delivers a complex woody-ambergris character with subtle metallic undertones. The initial impression suggests dry driftwood warmed by sunlight, evolving into a smooth ambery heart with hints of salty skin accord. The dry-down reveals a sophisticated mineralic quality reminiscent of wet stones, making it particularly valuable for modern amber bases. Its rigid bicyclic structure prevents the typical sweetness of amber materials, instead offering a crisp, almost architectural woody-amber effect.
2D Molecular Structure
SMILES: CC1(CC=CCCC=CCCC2C1(O2)C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene belongs to the bicyclic ether class of fragrance compounds. Its rigid structure combines elements of woody and ambery odorants with an oxygen bridge that modifies volatility. Synthesis typically involves Diels-Alder reactions followed by selective hydrogenation and methylation. The strained ring system contributes to its unique olfactory properties by restricting molecular flexibility, which alters how it interacts with olfactory receptors compared to more traditional amber materials.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Amber base modifier |
| Functional | 0.1-0.5% | Up to 1% | Woody-amber accent |
Classic Accords
Tip: Use to add structural definition to amber bases without increasing sweetness.
Alternatives & Comparisons
More widely available amber material with similar dry-down characteristics but lacks the woody-metallic facets.
Provides comparable woody-ambergris effects but with greater diffusion and projection.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No published RIFM assessment available.
Sustainability
As a synthetic material, this compound avoids the ecological concerns associated with natural ambergris sourcing. However, its complex synthesis requires multiple steps with moderate atom economy. Future green chemistry approaches may improve its sustainability profile.
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Ingredient Data Sheet
CAS 71735-79-0Physical Properties
| Molecular Weight | 220.35 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.2🔬 PubChem |
| log Kp (skin permeability) | -1.062💻 Calculated |
| SMILES | CC1(CC=CCCC=CCCC2C1(O2)C)C🔬 PubChem |
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: DTXSID0052461
Physical Properties
| Molecular Weight | 220.35 g/mol🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 4.2 Log10 unitless🔬 PubChem |
Molecular Descriptors
| Topological Polar Surface Area | 12.53 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Molar Refractivity | 68.42 cm^3/mol💻 Computed |
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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