4-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-ol (CAS 60241-53-4) — Woody Middle to base Note Fragrance Ingredient
4-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-ol
CAS 60241-53-4
What Is 4-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-ol?
4-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-ol is a synthetic fragrance ingredient used in modern perfumery to add woody, amber-like nuances. It’s found in upscale body care products and niche fragrances. This molecule helps create depth and longevity in scent profiles, bridging between fresh top notes and rich base accords.
Safety Profile
GENERALLY SAFEWhat Does 4-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-ol Smell Like?
This synthetic molecule presents a sophisticated woody character with subtle amber undertones. Initially crisp like freshly sanded cedar, it evolves into a warmer profile reminiscent of aged oak barrels. The dry-down reveals a faintly musky sweetness, behaving like an invisible velvet layer that enhances other notes without dominating.
2D Molecular Structure
SMILES: CC(O)C(C)CC1C(C)CCCC1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
4-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-ol belongs to the family of synthetic woody-alcohol fragrance compounds. It’s produced through controlled hydrogenation of corresponding ketones. The stereochemistry significantly impacts odor profile, with certain isomers exhibiting more pronounced woody characteristics. This compound demonstrates excellent stability in both acidic and alkaline formulations.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Approx. 250-260°C |
| Density | ~0.92 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 8% | Adds woody depth |
| Body Care | 0.5-2% | Up to 3% | For subtle sophistication |
Classic Accords
Tip: Use with citrus oils to prevent excessive dryness in the heart accord.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions. Follow general guidelines for alcohol-based compounds.
RIFM Assessment
Currently under RIFM review. Preliminary data suggests low sensitization potential.
Sustainability
As a synthetic material, this compound offers consistent quality without natural sourcing constraints. Production uses standard petrochemical feedstocks with established waste management protocols. The environmental impact is comparable to other fragrance alcohols in its class.
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 60241-53-4Physical Properties
| Molecular Weight | 212.37 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.8🔬 PubChem |
| Boiling Point | 265 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0309 mmHg @ 25°C📊 OPERA |
| Flash Point | 113 °C🔬 EPA CompTox |
| Involatility Index | 0.0023💻 Calculated |
| log Kp (skin permeability) | -0.587💻 Calculated |
| SMILES | CC1CCCC(C1CC(C)C(C)O)(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.6 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | alcohol💻 RDKit |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
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: DTXSID90866798
Physical Properties
| Molecular Weight | 212.377 g/mol🔬 EPA CompTox |
| Density | 0.858 g/cm^3📊 OPERA |
| Boiling Point | 257.836 °C📊 OPERA |
| Melting Point | 38.774 °C📊 OPERA |
| Flash Point | 111.561 °C📊 OPERA |
| Refractive Index | 1.443 Dimensionless📊 OPERA |
| Molar Volume | 250.211 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.13 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.13 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.13 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.55 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.013 mmHg📊 OPERA |
| Viscosity | 18.03 cP📊 OPERA |
| Surface Tension | 29.025 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.558 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 66.377 cm^3/mol📊 OPERA |
| Polarizability | 26.314 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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