.alpha.-Methyl-4-(1-methylethyl)-cyclohexanemethanol (CAS 63767-86-2) — Woody Base Note Fragrance Ingredient
.alpha.-Methyl-4-(1-methylethyl)-cyclohexanemethanol
CAS 63767-86-2
What Is .alpha.-Methyl-4-(1-methylethyl)-cyclohexanemethanol?
α-Methyl-4-(1-methylethyl)-cyclohexanemethanol is a synthetic fragrance ingredient used in modern perfumery for its woody, musky characteristics. It is found in high-end personal care products and fine fragrances. This compound is valued for its ability to enhance and stabilize other fragrance components, creating long-lasting scent profiles that evolve beautifully on the skin.
Safety Profile
GENERALLY SAFEWhat Does .alpha.-Methyl-4-(1-methylethyl)-cyclohexanemethanol Smell Like?
This synthetic molecule offers a refined woody-musky aroma with subtle earthy undertones. Initially presents a clean, slightly camphoraceous top note that quickly transitions into a warm, ambery heart. The dry-down reveals a soft, skin-like muskiness reminiscent of sun-warmed cedarwood. Exceptionally versatile, it behaves like a chameleon—enhancing florals with depth, adding creaminess to vanillas, and providing structure to citrus accords without overpowering them.
2D Molecular Structure
SMILES: CC(C)C1CCC(CC1)C(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
A synthetic terpenoid alcohol with a complex cyclohexane structure. The α-methyl substitution and isopropyl group create steric hindrance that slows evaporation and modifies odor characteristics. Typically produced through hydrogenation of corresponding ketones or via Grignard reactions. The stereochemistry significantly impacts scent profile—the cis isomer tends to be more woody while trans exhibits muskier qualities.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Foundation for woody-musky accords |
| Personal Care | 0.5-2% | Up to 3% | Provides longevity |
Classic Accords
Tip: Use to anchor citrus top notes and prevent harsh dry-downs.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
No specific RIFM assessment found.
Sustainability
As a synthetic material, production is controllable with minimal environmental impact compared to natural alternatives. Does not rely on endangered species or contribute to deforestation. Modern synthesis routes aim for atom economy and reduced waste.
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Physicochemical Properties
DTXSID: DTXSID40867033
Physical Properties
| Molecular Weight | 170.296 g/mol🔬 EPA CompTox |
| Density | 0.884 g/cm^3📊 OPERA |
| Boiling Point | 230.517 °C📊 OPERA |
| Melting Point | 28.259 °C📊 OPERA |
| Flash Point | 96.337 °C📊 OPERA |
| Refractive Index | 1.458 Dimensionless📊 OPERA |
| Molar Volume | 191.673 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.427 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.427 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.427 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.53 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.021 mmHg📊 OPERA |
| Viscosity | 15.674 cP📊 OPERA |
| Surface Tension | 30.27 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.462 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 52.302 cm^3/mol📊 OPERA |
| Polarizability | 20.734 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.
