exo-2-[(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanol (CAS 7070-15-7) — Woody Middle Note Fragrance Ingredient
exo-2-[(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanol
CAS 7070-15-7
What Is exo-2-[(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanol?
exo-2-[(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanol is a synthetic fragrance ingredient used in niche perfumery. It’s found in some woody and amber compositions. This molecule contributes unique olfactory properties that are difficult to achieve with natural materials alone, making it valuable for creating distinctive scent profiles.
Safety Profile
USE WITH AWARENESSWhat Does exo-2-[(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanol Smell Like?
This synthetic molecule presents a complex olfactory profile with woody, camphoraceous undertones reminiscent of aged cedar chests. The initial impression is crisp and slightly medicinal, evolving into a smoother, more rounded character with time. Dry-down reveals subtle amber-like warmth with a clean, almost soapy finish. The camphoraceous aspect remains present throughout but becomes more integrated and less sharp as the fragrance develops.
2D Molecular Structure
SMILES: CC1(C)[C@H]2CC[C@]1(C)[C@H](C2)OCCO
Chemistry, Properties & Perfumer Guide
The Chemistry
exo-2-[(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanol is a synthetic bicyclic ether alcohol derived from camphor-like structures. The molecule features a rigid bicyclic framework with an ethoxy side chain in exo configuration. While specific synthesis routes are proprietary, it likely involves the modification of camphene or related terpenoid precursors. The stereochemistry at the bridgehead carbons significantly influences its odor profile.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as woody-amber modifier |
| Functional Fragrance | 0.1-0.5% | Up to 1% | For masculine shower gel applications |
Classic Accords
Tip: Use in small quantities to add depth to woody compositions without overwhelming other notes.
Alternatives & Comparisons
Similar bicyclic structure with slightly less camphoraceous character and more sweetness.
Provides comparable woody-amber effects with better solubility in alcohol bases.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions reported.
RIFM Assessment
No RIFM assessment found for this specific compound.
Sustainability
As a synthetic material, this compound avoids natural resource depletion concerns. However, its production likely involves petrochemical feedstocks and energy-intensive processes typical of fine chemical synthesis. The environmental impact depends on specific manufacturing conditions and waste management practices.
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Ingredient Data Sheet
CAS 7070-15-7Physical Properties
| Molecular Weight | 198.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.6🔬 PubChem |
| Boiling Point | 262 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0001 mmHg @ 25°C📊 OPERA |
| Flash Point | 86.6 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.064💻 Calculated |
| SMILES | CC1(C2CCC1(C(C2)OCCO)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 6.9 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | alcoholether💻 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: DTXSID1052452
Physical Properties
| Molecular Weight | 198.306 g/mol🔬 EPA CompTox |
| Density | 0.994 g/cm^3📊 OPERA |
| Boiling Point | 251.014 °C📊 OPERA |
| Melting Point | 54.801 °C📊 OPERA |
| Flash Point | 98.494 °C📊 OPERA |
| Refractive Index | 1.493 Dimensionless📊 OPERA |
| Molar Volume | 195.194 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.897 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.237 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.847 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.41 Log10 unitless📊 OPERA |
| Water Solubility | 0.021 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.004 mmHg📊 OPERA |
| Viscosity | 13.8 cP📊 OPERA |
| Surface Tension | 34.405 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.293 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 29.46 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 56.767 cm^3/mol📊 OPERA |
| Polarizability | 22.504 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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