2-(2,2,7,7-Tetramethyltricyclo[6.2.1.01,6]undec-5-en-5-yl)propan-1-ol (CAS 929625-08-1) — Woody Base Note Fragrance Ingredient
2-(2,2,7,7-Tetramethyltricyclo[6.2.1.01,6]undec-5-en-5-yl)propan-1-ol
CAS 929625-08-1
What Is 2-(2,2,7,7-Tetramethyltricyclo[6.2.1.01,6]undec-5-en-5-yl)propan-1-ol?
2-(2,2,7,7-Tetramethyltricyclo[6.2.1.01,6]undec-5-en-5-yl)propan-1-ol is a synthetic fragrance ingredient used in high-end perfumery. It contributes woody and ambery notes. Consumers encounter this in niche fragrances where it adds depth and longevity. Its complex structure allows for unique scent profiles, making it valuable for perfumers seeking distinctive accords.
Safety Profile
GENERALLY SAFEWhat Does 2-(2,2,7,7-Tetramethyltricyclo[6.2.1.01,6]undec-5-en-5-yl)propan-1-ol Smell Like?
This molecule offers a rich, woody foundation with subtle amber undertones. It evolves from a slightly sharp top note to a warm, enveloping heart, finally settling into a lingering base that enhances other materials. Its dry-down is smooth and slightly resinous, reminiscent of aged woods and polished amber.
2D Molecular Structure
SMILES: CC(CO)C1=C2C(C)(C)C3CCC2(C3)C(C)(C)CC1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-(2,2,7,7-Tetramethyltricyclo[6.2.1.01,6]undec-5-en-5-yl)propan-1-ol is a synthetic tricyclic alcohol. Its complex structure is designed to mimic natural woody and ambery notes. Synthesis typically involves multi-step organic reactions, including cyclization and functional group transformations. The molecule’s rigidity contributes to its stability and longevity in fragrance formulations.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds depth and longevity |
| Home Fragrance | 0.5-3% | Up to 5% | Enhances woody accords |
Classic Accords
Tip: Use in small amounts to avoid overpowering other notes.
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
No RIFM safety assessment currently available.
Sustainability
As a synthetic ingredient, its production is controlled and does not rely on natural resources. Environmental impact depends on the synthesis route and waste management practices.
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Physicochemical Properties
DTXSID: DTXSID801134929
Physical Properties
| Molecular Weight | 262.437 g/mol🔬 EPA CompTox |
| Density | 0.992 g/cm^3📊 OPERA |
| Boiling Point | 309.729 °C📊 OPERA |
| Melting Point | 105.019 °C📊 OPERA |
| Flash Point | 129.077 °C📊 OPERA |
| Refractive Index | 1.525 Dimensionless📊 OPERA |
| Molar Volume | 261.592 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.35 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.35 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.35 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.72 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Surface Tension | 35.601 dyn/cm📊 OPERA |
| Thermal Conductivity | 119.426 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 80.229 cm^3/mol📊 OPERA |
| Polarizability | 31.805 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.
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