cis-3,5,5-Trimethylcyclohexan-1-ol (CAS 933-48-2) — Woody Base Note Fragrance Ingredient
cis-3,5,5-Trimethylcyclohexan-1-ol
CAS 933-48-2
What Is cis-3,5,5-Trimethylcyclohexan-1-ol?
cis-3,5,5-Trimethylcyclohexan-1-ol is a synthetic fragrance ingredient used in fine fragrances and personal care products. It contributes to woody, earthy, and slightly floral notes. This compound is valued for its stability and ability to blend well with other ingredients, making it a versatile choice for perfumers.
Safety Profile
GENERALLY SAFEWhat Does cis-3,5,5-Trimethylcyclohexan-1-ol Smell Like?
cis-3,5,5-Trimethylcyclohexan-1-ol offers a complex olfactory profile. It opens with a crisp, woody character, reminiscent of freshly cut cedar, which gradually softens into a warm, earthy heart. The dry-down reveals subtle floral undertones, adding depth and longevity to fragrances. Its evolution is smooth, making it a reliable base for woody and floral compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the woody and fresh aspects, blending seamlessly with citrus and herbal notes.
Adds earthy depth to the vetiver and mineral accord, creating a sophisticated dry-down.
2D Molecular Structure
SMILES: C[C@@H]1C[C@H](O)CC(C)(C)C1
Chemistry, Properties & Perfumer Guide
The Chemistry
cis-3,5,5-Trimethylcyclohexan-1-ol is a cyclohexanol derivative, characterized by its three methyl groups. It is synthesized through hydrogenation of corresponding ketones or via Grignard reactions. The cis configuration is crucial for its olfactory properties, as it influences the molecule’s interaction with olfactory receptors. This compound is typically produced in high purity for fragrance applications.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Adds woody depth |
| Personal Care | 1-3% | Up to 5% | Stable in formulations |
Classic Accords
Tip: Use in small amounts to enhance woody accords without overpowering other notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
RIFM Assessment
RIFM assessment confirms safety at current usage levels.
Sustainability
Synthetic production ensures consistent quality and reduces environmental impact compared to natural extraction. The process is optimized for minimal waste and energy use.
Explore cis-3,5,5-Trimethylcyclohexan-1-ol
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 933-48-2Physical Properties
| Molecular Weight | 142.24 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.6🔬 PubChem |
| Boiling Point | 196.5 °C🔬 EPA CompTox |
| Vapor Pressure | 0.3548 mmHg @ 25°C📊 OPERA |
| Flash Point | 88 °C🔬 EPA CompTox |
| Involatility Index | 0.0321💻 Calculated |
| log Kp (skin permeability) | -1.722💻 Calculated |
| SMILES | CC1CC(CC(C1)(C)C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.7 / 5💻 Calculated |
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: DTXSID1047570
Physical Properties
| Molecular Weight | 142.242 g/mol🔬 EPA CompTox |
| Density | 0.882 g/cm^3📊 OPERA |
| Boiling Point | 196.5 °C🔬 EPA CTX |
| Melting Point | 36.9 °C🔬 EPA CTX |
| Flash Point | 88.075 °C🔬 EPA CTX |
| Refractive Index | 1.448 Dimensionless📊 OPERA |
| Molar Volume | 161.847 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.018 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.018 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.018 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.98 Log10 unitless📊 OPERA |
| Water Solubility | 0.017 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.228 mmHg📊 OPERA |
| Viscosity | 10.86 cP📊 OPERA |
| Surface Tension | 27.708 dyn/cm📊 OPERA |
| Thermal Conductivity | 125.683 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 | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 43.29 cm^3/mol📊 OPERA |
| Polarizability | 17.162 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.
