Tricyclodecenyl acetate (CAS 5413-60-5) — Woody Base Note Fragrance Ingredient
Tricyclodecenyl acetate
CAS 5413-60-5
What Is Tricyclodecenyl acetate?
Tricyclodecenyl acetate is a synthetic fragrance ingredient used to add woody, ambery nuances to perfumes. It’s found in many modern fragrances as a versatile modifier. This molecule matters because it helps create long-lasting, complex scent profiles while being more stable than some natural alternatives.
Safety Profile
GENERALLY SAFEWhat Does Tricyclodecenyl acetate Smell Like?
Tricyclodecenyl acetate opens with a crisp, woody character reminiscent of freshly cut cedar planks. As it evolves, it reveals subtle ambery undertones with a faintly sweet, almost vanilla-like dry-down. The scent profile is linear but sophisticated, providing a stable backbone for more volatile top notes.
2D Molecular Structure
SMILES: CC(=O)OC1CC2CC1C1CC=CC21
Chemistry, Properties & Perfumer Guide
The Chemistry
Tricyclodecenyl acetate is a synthetic ester derived from tricyclodecenyl alcohol. Its molecular structure features a rigid tricyclic framework that contributes to its stability and longevity in fragrance formulations. The acetate group provides volatility control, making it useful for modulating scent diffusion.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Adds woody depth |
| Home Care | 0.5-2% | Up to 5% | Provides longevity |
Classic Accords
Tip: Use with citrus top notes to create contrast and lift.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
Not currently assessed by RIFM.
Sustainability
As a synthetic material, tricyclodecenyl acetate offers consistent quality without natural sourcing constraints. Production can be optimized for energy efficiency and minimal waste.
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Physicochemical Properties
DTXSID: DTXSID4029270
Physical Properties
| Molecular Weight | 192.258 g/mol🔬 EPA CompTox |
| Density | 1.074 g/cm^3🔬 EPA CTX |
| Boiling Point | 262.231 °C📊 OPERA |
| Melting Point | 93.754 °C📊 OPERA |
| Flash Point | 76.5 °C🔬 EPA CTX |
| Refractive Index | 1.536 Dimensionless📊 OPERA |
| Molar Volume | 170.285 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.2 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.628 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.628 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 | 9.52 cP📊 OPERA |
| Surface Tension | 37.022 dyn/cm📊 OPERA |
| Thermal Conductivity | 116.458 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.
