Tricyclo[5.2.1.02,6]decan-8-one (CAS 13380-94-4) — Woody Base Note Fragrance Ingredient
Tricyclo[5.2.1.02,6]decan-8-one
CAS 13380-94-4
What Is Tricyclo[5.2.1.02,6]decan-8-one?
Tricyclo[5.2.1.02,6]decan-8-one is a synthetic fragrance ingredient used in modern perfumery to create woody, amber-like accords. Consumers encounter it in masculine fragrances and fabric conditioners where it provides long-lasting warmth. This molecule matters because its unique structure allows perfumers to create stable, diffusive woody notes without using natural sandalwood or cedar extracts.
Safety Profile
GENERALLY SAFEWhat Does Tricyclo[5.2.1.02,6]decan-8-one Smell Like?
A powerful woody-amber molecule with initial camphoraceous sharpness that quickly settles into a smooth, slightly sweet cedar-like heart. The drydown reveals remarkable tenacity – like fine sandalwood wrapped in warm musk, with none of the natural oil’s dairy nuances. Over hours, it behaves like a musical bass note, amplifying surrounding florals without ever dominating.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the synthetic amber accord, providing masculine warmth that persists through the fragrance’s evolution.
Contributes to the signature woody-amber backbone that makes this fragrance so tenacious yet transparent.
2D Molecular Structure
SMILES: O=C1CC2CC1C1CCCC21
Chemistry, Properties & Perfumer Guide
The Chemistry
A bridged polycyclic ketone with exceptional stability. The strained cage-like structure contributes to both its volatility profile and odor characteristics. Industrially produced via Diels-Alder reactions followed by selective oxidation. The rigid geometry prevents common degradation pathways, making it ideal for functional fragrances.
Physical & Chemical Properties
| Molecular Weight | 164.25 g/mol |
|---|---|
| Boiling Point | 285 °C |
| LogP | 3.1 (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Amber/woody accords |
| Functional | 0.1-0.5% | Up to 1% | Fabric conditioners |
Classic Accords
Tip: Use with citrus top notes to prevent initial harshness from dominating.
Alternatives & Comparisons
When a more pronounced woody-dry character is desired, though less stable in alkaline formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
RIFM Assessment
RIFM-reviewed with no significant safety concerns at typical usage levels.
Sustainability
As a synthetic material, production is independent of natural resource constraints. Modern manufacturing routes achieve high atom economy with minimal hazardous byproducts.
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References
- IFRA Standards Library (2023) IFRA
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 13380-94-4Physical Properties
| Molecular Weight | 150.22 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2🔬 PubChem |
| Boiling Point | 230 °C🔬 EPA CompTox |
| Vapor Pressure | 0.3631 mmHg @ 25°C📊 OPERA |
| Flash Point | 101.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0319💻 Calculated |
| log Kp (skin permeability) | -2.196💻 Calculated |
| SMILES | C1CC2C(C1)C3CC2CC3=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.7 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | ketone💻 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: DTXSID9047463
Physical Properties
| Molecular Weight | 150.221 g/mol🔬 EPA CompTox |
| Density | 1.091 g/cm^3📊 OPERA |
| Boiling Point | 228.671 °C📊 OPERA |
| Melting Point | 42.934 °C📊 OPERA |
| Flash Point | 95.231 °C📊 OPERA |
| Refractive Index | 1.535 Dimensionless📊 OPERA |
| Molar Volume | 135.945 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.213 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.213 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.213 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.26 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.178 mmHg📊 OPERA |
| Viscosity | 6.528 cP📊 OPERA |
| Surface Tension | 38.317 dyn/cm📊 OPERA |
| Thermal Conductivity | 119.429 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 42.353 cm^3/mol📊 OPERA |
| Polarizability | 16.79 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.
