2-(1,1-Dimethylethyl)-4-methylcyclohexan-1-ol (CAS 67634-11-1) — Woody Base Note Fragrance Ingredient
2-(1,1-Dimethylethyl)-4-methylcyclohexan-1-ol
CAS 67634-11-1
What Is 2-(1,1-Dimethylethyl)-4-methylcyclohexan-1-ol?
2-(1,1-Dimethylethyl)-4-methylcyclohexan-1-ol is a synthetic fragrance ingredient used to add woody, earthy notes to perfumes and personal care products. It’s found in colognes, deodorants, and fabric softeners where it contributes to long-lasting base accords. This molecule matters because it helps create modern woody fragrance profiles without relying on natural materials, offering consistent quality and sustainability benefits over traditional ingredients like sandalwood.
Safety Profile
GENERALLY SAFEWhat Does 2-(1,1-Dimethylethyl)-4-methylcyclohexan-1-ol Smell Like?
This synthetic terpene alcohol presents a clean, dry woody character with subtle camphoraceous undertones. Initially crisp and slightly medicinal, it evolves into a refined sandalwood-like heart with excellent tenacity. The dry-down reveals a smooth, slightly powdery wood note with faint muskiness that blends seamlessly with other base materials. Its odor profile resembles pared-down sandalwood without the creamy richness, making it useful for modern minimalist compositions.
2D Molecular Structure
SMILES: CC1CCC(O)C(C1)C(C)(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
2-(1,1-Dimethylethyl)-4-methylcyclohexan-1-ol belongs to the substituted cyclohexanol class, structurally related to terpenoid alcohols. While not found in nature, it’s synthesized through hydroalkylation of p-cymene derivatives or selective hydrogenation of terpene precursors. The tert-butyl group provides steric hindrance that influences both volatility and odor characteristics. Commercial material typically contains diastereomers whose ratios affect the olfactory profile, with the cis-isomer being more woody and the trans-isomer more camphoraceous.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Woody base note |
| Functional Products | 0.1-1% | Up to 2% | Long-lasting freshness |
Classic Accords
Tip: Use with citrus top notes to prevent excessive dryness in the dry-down.
Alternatives & Comparisons
A more sandalwood-like alternative with creamier facets for richer compositions.
Provides stronger woody character with less camphoraceous nuance for bold statements.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply to this material under Amendment 51.
RIFM Assessment
RIFM has no current safety concerns when used at typical fragrance concentrations.
Sustainability
As a purely synthetic material, this compound avoids the sustainability issues associated with natural wood oil extraction. Its production from petrochemical feedstocks allows for consistent quality control and reduces pressure on endangered species like sandalwood. Future bio-synthetic routes using engineered microorganisms could further improve its environmental profile.
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Physicochemical Properties
DTXSID: DTXSID40867295
Physical Properties
| Molecular Weight | 170.296 g/mol🔬 EPA CompTox |
| Density | 0.886 g/cm^3📊 OPERA |
| Boiling Point | 220.093 °C📊 OPERA |
| Melting Point | 34.358 °C📊 OPERA |
| Flash Point | 87.182 °C📊 OPERA |
| Refractive Index | 1.462 Dimensionless📊 OPERA |
| Molar Volume | 189.678 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.46 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.46 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.46 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.77 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.043 mmHg📊 OPERA |
| Viscosity | 7.731 cP📊 OPERA |
| Surface Tension | 30.518 dyn/cm📊 OPERA |
| Thermal Conductivity | 122.597 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 | 52.164 cm^3/mol📊 OPERA |
| Polarizability | 20.679 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.
