4-(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)-cyclohexanol (CAS 66072-32-0) — Woody Base Note Fragrance Ingredient
4-(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)-cyclohexanol
CAS 66072-32-0
What Is 4-(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)-cyclohexanol?
This synthetic fragrance ingredient is a carefully engineered molecule used in modern perfumery to create unique woody-ambery accords. Consumers encounter it in premium fragrances where it contributes to long-lasting base notes with sophisticated depth. Its importance lies in providing perfumers with a stable, consistent building block that mimics aspects of natural ambergris without ethical concerns, while offering superior performance in scent longevity and diffusion.
Safety Profile
GENERALLY SAFEWhat Does 4-(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)-cyclohexanol Smell Like?
A complex woody-amber character unfolds with initial camphoraceous facets that quickly settle into a warm, velvety drydown. The scent profile suggests polished antique wood blended with sun-warmed skin – neither overtly sweet nor animalic, but carrying an elegant persistence. Over hours, it reveals subtle marine undertones reminiscent of sun-bleached driftwood, with exceptional tenacity that anchors fragrance compositions without overwhelming other notes.
2D Molecular Structure
SMILES: CC1(C)C2CCC1(C)C(C2)C1CCC(O)CC1
Chemistry, Properties & Perfumer Guide
The Chemistry
This bicyclic tertiary alcohol belongs to the norcamphor family, structurally related to camphor but with modified steric hindrance that alters its olfactory properties. Synthesized through Diels-Alder reactions followed by hydrogenation and oxidation steps, its rigid molecular architecture contributes to exceptional stability. The cyclohexanol moiety provides polarity while the trimethylbicyclic system creates distinctive diffusion patterns, making it valuable for modern amber accords requiring both substantivity and clarity.
Physical & Chemical Properties
| Molecular Class | Bicyclic tertiary alcohol |
|---|
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Amber accord backbone |
| Home Fragrance | 0.5-3% | Up to 5% | Longevity booster |
Classic Accords
Tip: Use with ionones to soften the camphoraceous edge and enhance diffusion.
Alternatives & Comparisons
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
Considered safe at current usage levels based on structure-activity relationships.
Sustainability
As a synthetic material, this ingredient avoids harvesting pressures on natural resources. Modern catalytic synthesis methods minimize waste and energy consumption compared to earlier routes. Its high potency reduces the quantity needed in formulations, lowering the overall environmental footprint compared to some natural alternatives.
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Ingredient Data Sheet
CAS 66072-32-0Physical Properties
| Molecular Weight | 236.39 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.6🔬 PubChem |
| Boiling Point | 286 °C🔬 EPA CompTox |
| Vapor Pressure | 0.005 mmHg @ 25°C📊 OPERA |
| Flash Point | 133.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0004💻 Calculated |
| log Kp (skin permeability) | -0.876💻 Calculated |
| SMILES | CC1(C2CCC1(C(C2)C3CCC(CC3)O)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.5 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | alcohol💻 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: DTXSID10867202
Physical Properties
| Molecular Weight | 236.399 g/mol🔬 EPA CompTox |
| Density | 0.988 g/cm^3📊 OPERA |
| Boiling Point | 297.53 °C📊 OPERA |
| Melting Point | 91.425 °C📊 OPERA |
| Flash Point | 135.381 °C📊 OPERA |
| Refractive Index | 1.52 Dimensionless📊 OPERA |
| Molar Volume | 235.468 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.362 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.362 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.362 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.58 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.002 mmHg📊 OPERA |
| Viscosity | 24.622 cP📊 OPERA |
| Surface Tension | 36.493 dyn/cm📊 OPERA |
| Thermal Conductivity | 117.038 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 71.569 cm^3/mol📊 OPERA |
| Polarizability | 28.372 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.
