8-Ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol (CAS 84681-92-5) — Woody Base Note Fragrance Ingredient
8-Ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol
CAS 84681-92-5
What Is 8-Ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol?
8-Ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol is a synthetic fragrance ingredient used to add woody, earthy notes to perfumes and scented products. It’s found in niche fragrances and some personal care items. This molecule matters because it offers perfumers a unique structural backbone that can enhance complexity and longevity in fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does 8-Ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol Smell Like?
This synthetic molecule delivers a robust woody character with subtle earthy undertones. The scent evolves from an initial crispness reminiscent of freshly split cedarwood to a warmer, more rounded base note over time. Its dry-down reveals a clean, slightly camphoraceous quality that lingers close to the skin.
2D Molecular Structure
SMILES: CCC1(O)C2(C)CCC1(C)CCC2
Chemistry, Properties & Perfumer Guide
The Chemistry
8-Ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol belongs to the bicyclic tertiary alcohol class. Its synthesis typically involves cyclization of appropriate precursors followed by functional group transformations. The rigid bicyclic structure contributes to its stability and unique olfactory profile. No natural occurrence has been reported for this compound.
Physical & Chemical Properties
| Molecular Weight | Not available |
|---|---|
| Boiling Point | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used as woody base note |
| Personal Care | 0.5-1% | Up to 2% | For subtle woody accents |
Classic Accords
Tip: Use in small quantities to avoid overwhelming 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 to this material.
RIFM Assessment
No RIFM safety assessment currently available for this material.
Sustainability
As a synthetic material, its production avoids natural resource depletion but requires energy-intensive chemical processes. Future developments may focus on greener synthesis routes.
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Ingredient Data Sheet
CAS 84681-92-5Physical Properties
| Molecular Weight | 182.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.1🔬 PubChem |
| Boiling Point | 252 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0933 mmHg @ 25°C📊 OPERA |
| Flash Point | 94.7 °C🔬 EPA CompTox |
| Involatility Index | 0.0074💻 Calculated |
| log Kp (skin permeability) | -1.611💻 Calculated |
| SMILES | CCC1(C2(CCCC1(CC2)C)C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 1.9 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | earthywoody• leffingwell |
| 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: DTXSID80868827
Physical Properties
| Molecular Weight | 182.307 g/mol🔬 EPA CompTox |
| Density | 0.959 g/cm^3📊 OPERA |
| Boiling Point | 244.355 °C📊 OPERA |
| Melting Point | 93.783 °C📊 OPERA |
| Flash Point | 94.232 °C📊 OPERA |
| Refractive Index | 1.505 Dimensionless📊 OPERA |
| Molar Volume | 185.441 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.096 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.096 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.096 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.75 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.05 mmHg📊 OPERA |
| Viscosity | 24.254 cP📊 OPERA |
| Surface Tension | 37.243 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.572 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 | 54.987 cm^3/mol📊 OPERA |
| Polarizability | 21.798 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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