Tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate (CAS 2500-83-6) — Woody Middle to base Note Fragrance Ingredient
Tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate
CAS 2500-83-6
What Is Tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate?
Tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate is a synthetic fragrance ingredient used in modern perfumery. It’s found in woody and amber compositions, often adding depth to masculine fragrances. This molecule contributes a sophisticated, long-lasting character to scents, prized for its ability to enhance other ingredients without overpowering them.
Safety Profile
USE WITH AWARENESSWhat Does Tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate Smell Like?
A complex woody-amber note with subtle pine-like freshness. Opens with crisp camphoraceous facets that evolve into a smooth, slightly sweet woody heart. The dry-down reveals remarkable tenacity, leaving a refined cedar-like trail with hints of dry earthiness. Comparable to freshly split cedarwood with a whisper of damp forest floor.
2D Molecular Structure
SMILES: CC(=O)OC1CC2CC1C1C=CCC21
Chemistry, Properties & Perfumer Guide
The Chemistry
A bicyclic terpenoid acetate with a complex fused ring structure. Synthesized through Diels-Alder reactions of cyclopentadiene derivatives followed by acetylation. The rigid molecular framework contributes to its excellent stability and longevity in fragrance applications. The acetate group provides subtle sweetness while the tricyclic core delivers robust woody character.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Woody accord enhancer |
| Functional Fragrance | 0.5-1.5% | Up to 3% | Long-lasting woody note |
Classic Accords
Tip: Use as a fixative in woody compositions where subtle amber-like sweetness is desired.
Alternatives & Comparisons
More pronounced cedar character with similar longevity but less amber nuance.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Listed on IFRA Transparency List.
RIFM Assessment
Limited safety assessment available. Considered safe at current usage levels.
Sustainability
Synthetic production minimizes environmental impact compared to natural wood extracts. Manufacturing process optimized for atom economy. No known ecological concerns at current production scales.
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Perfumers Notes
Odor Profile
Anisic, green, sweet, woody.
Standard Dilution
10% in DPG (standard dilution for most fragrance materials)
Ingredient Data Sheet
CAS 2500-83-6Physical Properties
| Molecular Weight | 192.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.2🔬 PubChem |
| Boiling Point | 262 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0021 mmHg @ 25°C📊 OPERA |
| Flash Point | 101.8 °C🔬 EPA CompTox |
| Involatility Index | 0.0002💻 Calculated |
| log Kp (skin permeability) | -2.311💻 Calculated |
| SMILES | CC(=O)OC1CC2CC1C3C2CC=C3🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | greensweetwoody• leffingwell |
| Functional Groups | esteretheralkene💻 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: DTXSID3051917
Physical Properties
| Molecular Weight | 192.258 g/mol🔬 EPA CompTox |
| Density | 1.117 g/cm^3📊 OPERA |
| Boiling Point | 262.24 °C📊 OPERA |
| Melting Point | 93.828 °C📊 OPERA |
| Flash Point | 114.477 °C📊 OPERA |
| Refractive Index | 1.536 Dimensionless📊 OPERA |
| Molar Volume | 170.285 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.606 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.606 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.606 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.79 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.007 mmHg📊 OPERA |
| Viscosity | 9.743 cP📊 OPERA |
| Surface Tension | 37.022 dyn/cm📊 OPERA |
| Thermal Conductivity | 116.379 mW/(m*K)📊 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 53.135 cm^3/mol📊 OPERA |
| Polarizability | 21.064 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.
