Ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (CAS 67952-68-5) — Woody Middle to Base Note Fragrance Ingredient
Ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CAS 67952-68-5
What Is Ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
Ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is a synthetic fragrance ingredient used in modern perfumery. It’s found in various personal care products and fine fragrances. This compound contributes unique woody and camphoraceous notes, often used to add depth and complexity to masculine and unisex scents. Its molecular structure allows for versatile blending with other fragrance materials.
Safety Profile
GENERALLY SAFEWhat Does Ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol Smell Like?
This synthetic molecule presents a bold, woody-camphoraceous character with subtle minty undertones. The initial impression is crisp and slightly medicinal, evolving into a smoother, more refined woody aroma with time. In dry-down, it reveals a persistent, clean woody base with faintly sweet and earthy facets. The scent profile bridges traditional woody notes with modern freshness, making it valuable for contemporary masculine compositions.
2D Molecular Structure
SMILES: CCC1(C(C2CCC1(C2)C)(C)C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is a synthetic bicyclic monoterpenoid alcohol. The molecule features a norbornane skeleton with ethyl and methyl substituents that influence its olfactory properties. While not found in nature, its structural analogs occur in various essential oils. Synthesis typically involves catalytic hydrogenation of appropriate precursors, with careful control of stereochemistry to achieve the desired olfactory profile.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Woody-modifier |
| Personal Care | 0.5-2% | Up to 3% | Functional fragrance |
Classic Accords
Tip: Use in small quantities to enhance woody notes without overpowering the composition.
Alternatives & Comparisons
Similar woody profile but with less camphoraceous character, useful when a softer effect is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
Limited safety assessment available from RIFM.
Sustainability
As a synthetic material, this compound’s environmental impact depends on production methods and energy sources. Being petroleum-derived, it avoids agricultural land use but carries carbon footprint considerations from manufacturing. Future green chemistry approaches may improve its sustainability profile.
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Ingredient Data Sheet
CAS 67952-68-5Physical Properties
| Molecular Weight | 182.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.2🔬 PubChem |
| log Kp (skin permeability) | -1.54💻 Calculated |
| SMILES | CCC1(C(C2CCC1(C2)C)(C)C)O🔬 PubChem |
Odor & Flavor
| Primary Descriptors | balsamicwoody• 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: DTXSID2041670
Physical Properties
| Molecular Weight | 182.3 g/mol🔬 PubChem |
| Density | 0.946 g/cm^3🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 3.2 Log10 unitless🔬 PubChem |
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 |
| Molar Refractivity | 54.47 cm^3/mol💻 Computed |
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.
