(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol (CAS 68877-29-2) — Woody Middle to Base Note Fragrance Ingredient
(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol
CAS 68877-29-2
What Is (1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol?
(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol is a synthetic fragrance compound used in perfumery. It’s found in niche fragrances and functional products like soaps and detergents. This ingredient contributes woody, ambery notes that enhance depth and longevity in fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does (1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol Smell Like?
This molecule delivers a complex woody-ambergris character with subtle camphoraceous undertones. The initial impression is dry and slightly medicinal, evolving into a warm, musky-woody heart. The dry-down reveals a smooth amber-like quality with excellent tenacity. It bridges woody and amber accords, adding sophistication to masculine and unisex compositions.
2D Molecular Structure
SMILES: CC1(C)C2CCC1(C)C(C2)C1(O)CCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
This bicyclic tertiary alcohol belongs to the camphoraceous-terpenoid chemical class. The structure combines a norbornane framework with a cyclohexanol moiety, creating unique steric constraints that influence its odor properties. Synthesized through hydrogenation of appropriate terpene precursors, its three-dimensional structure contributes to its distinctive olfactory profile. The molecule’s rigidity affects its volatility and substantivity on skin.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used as woody-amber modifier |
| Functional Products | 0.1-0.5% | Up to 1% | Provides lasting woody notes |
Classic Accords
Tip: Use as a bridge between woody and amber notes to enhance diffusion and longevity.
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
No RIFM assessment currently available for this specific compound.
Sustainability
As a synthetic material, this ingredient avoids natural resource depletion concerns. Production typically involves petrochemical feedstocks, though green chemistry approaches could potentially be applied. Its high potency means relatively small quantities are needed in formulations, reducing overall environmental impact.
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Ingredient Data Sheet
CAS 68877-29-2Physical Properties
| Molecular Weight | 236.39 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.5🔬 PubChem |
| Boiling Point | 283 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0049 mmHg @ 25°C📊 OPERA |
| Flash Point | 131.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0003💻 Calculated |
| log Kp (skin permeability) | -0.947💻 Calculated |
| SMILES | CC1(C2CCC1(C(C2)C3(CCCCC3)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 |
| “Fruity-balsamic, sweet and woody, very tenacious odor, not as mellow or “round” as ~oHw02 = 290.45 the odor of the n-Butyrate, but slightly fresher. It is also a common in- less interesting than the n-Butyrate, but by gredient in the rather unfashionable type of many chemists considered less prone to fragrance, called “Oriental Rose”.”📖 Arctander | |
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: DTXSID4052425
Physical Properties
| Molecular Weight | 236.399 g/mol🔬 EPA CompTox |
| Density | 0.982 g/cm^3📊 OPERA |
| Boiling Point | 289.788 °C📊 OPERA |
| Melting Point | 97.527 °C📊 OPERA |
| Flash Point | 132.589 °C📊 OPERA |
| Refractive Index | 1.523 Dimensionless📊 OPERA |
| Molar Volume | 233.899 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.296 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.296 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.296 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.85 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 | 43.961 cP📊 OPERA |
| Surface Tension | 37.211 dyn/cm📊 OPERA |
| Thermal Conductivity | 123.569 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 | 71.475 cm^3/mol📊 OPERA |
| Polarizability | 28.335 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.
