2,4,6-Trimethyl-3-cyclohexene-1-methanol (CAS 68527-77-5) — Woody Middle to Base Note Fragrance Ingredient
2,4,6-Trimethyl-3-cyclohexene-1-methanol
CAS 68527-77-5
What Is 2,4,6-Trimethyl-3-cyclohexene-1-methanol?
2,4,6-Trimethyl-3-cyclohexene-1-methanol is a synthetic fragrance ingredient used in modern perfumery. It is found in various consumer products like body care items and home fragrances. This molecule contributes to fresh, woody, and slightly green accords, enhancing the complexity of fragrances. Its synthetic origin allows for consistent quality and availability, making it a valuable tool for perfumers to create unique scent profiles.
Safety Profile
GENERALLY SAFEWhat Does 2,4,6-Trimethyl-3-cyclohexene-1-methanol Smell Like?
2,4,6-Trimethyl-3-cyclohexene-1-methanol offers a crisp, woody aroma with subtle green undertones. Its initial burst is fresh and slightly camphoraceous, evolving into a heart of clean, pine-like notes. The dry-down reveals a soft, musky woodiness, making it versatile in modern compositions. Its profile bridges the gap between natural and synthetic, providing a stable and long-lasting scent foundation.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a key synthetic wood note, providing stability and a clean, modern woody accord that mimics natural ingredients without variability.
2D Molecular Structure
SMILES: CC1CC(C)=CC(C)C1CO
Chemistry, Properties & Perfumer Guide
The Chemistry
2,4,6-Trimethyl-3-cyclohexene-1-methanol is a synthetic terpene alcohol. It is typically synthesized via catalytic hydrogenation or oxidation of corresponding terpene precursors. Its structure features a cyclohexene ring with multiple methyl groups, contributing to its woody odor profile. The molecule’s stability and low reactivity make it suitable for various fragrance applications.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody depth |
| Home Fragrance | 2-7% | Up to 12% | Enhances longevity |
Classic Accords
Tip: Use to enhance woody accords without adding heaviness.
Alternatives & Comparisons
A more widely used synthetic woody note with similar versatility but different odor profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
Under review by RIFM for comprehensive safety assessment.
Sustainability
As a synthetic ingredient, it offers consistent quality and reduces reliance on natural resources. Production processes are optimized for minimal environmental impact, though energy use in synthesis should be considered.
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References
- PubChem Compound Summary PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID5052414
Physical Properties
| Molecular Weight | 154.253 g/mol🔬 EPA CompTox |
| Density | 0.934 g/cm^3🔬 EPA CTX |
| Boiling Point | 224.9 °C🔬 EPA CTX |
| Melting Point | 29.661 °C📊 OPERA |
| Flash Point | 94 °C🔬 EPA CTX |
| Refractive Index | 1.453 Dimensionless📊 OPERA |
| Molar Volume | 176.286 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.6 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.14 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.14 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.018 mmHg🔬 EPA CTX |
| Viscosity | 7.43 cP📊 OPERA |
| Surface Tension | 27.94 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.573 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 47.623 cm^3/mol📊 OPERA |
| Polarizability | 18.879 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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