2,4-Dimethylcyclohexylmethyl acetate (CAS 67634-22-4) — Woody Middle Note Fragrance Ingredient
2,4-Dimethylcyclohexylmethyl acetate
CAS 67634-22-4
What Is 2,4-Dimethylcyclohexylmethyl acetate?
2,4-Dimethylcyclohexylmethyl acetate is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes a fresh, woody aroma that enhances modern fragrance compositions. This molecule matters because it helps create long-lasting, sophisticated scent profiles without relying on natural extracts, making fragrances more sustainable and consistent.
Safety Profile
GENERALLY SAFEWhat Does 2,4-Dimethylcyclohexylmethyl acetate Smell Like?
2,4-Dimethylcyclohexylmethyl acetate opens with a crisp, slightly citrusy woodiness that evolves into a heart of clean, dry cedar-like tones. The dry-down reveals a subtle muskiness with faint floral undertones, creating a sophisticated base that lingers close to the skin. Imagine the scent of freshly planed cedarwood with a whisper of bergamot peel – bright yet grounded, modern yet timeless.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody backbone to support the marine accord, providing dry warmth that contrasts with the salty freshness.
Enhances the sandalwood illusion with its clean woody character, adding depth without heaviness.
2D Molecular Structure
SMILES: CC1CCC(COC(C)=O)C(C)C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2,4-Dimethylcyclohexylmethyl acetate belongs to the class of cyclohexane derivatives. As a synthetic material, it’s produced through hydrogenation and acetylation of aromatic precursors. The dimethyl substitution pattern creates steric hindrance that influences its volatility and odor characteristics. The acetate group contributes to its diffusion properties and modifies the overall scent profile.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Strength | Medium |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Woody accent |
| Body Care | 0.5-1% | Up to 2% | Freshness booster |
Classic Accords
Tip: Use as a bridge between citrus top notes and woody base materials for seamless transitions.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
Under evaluation by RIFM, preliminary data shows no significant concerns.
Sustainability
As a synthetic material, 2,4-Dimethylcyclohexylmethyl acetate offers consistent quality without natural resource depletion. Production can be optimized for minimal environmental impact through green chemistry principles. Its efficiency in formulations reduces overall fragrance load requirements.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 9783527616324
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 67634-22-4Physical Properties
| Molecular Weight | 184.27 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.2🔬 PubChem |
| Boiling Point | 214 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0603 mmHg @ 25°C📊 OPERA |
| Flash Point | 84.8 °C🔬 EPA CompTox |
| Involatility Index | 0.0048💻 Calculated |
| log Kp (skin permeability) | -1.552💻 Calculated |
| SMILES | CC1CCC(C(C1)C)COC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | greenwoody• leffingwell |
| Functional Groups | esterether💻 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: DTXSID80867299
Physical Properties
| Molecular Weight | 184.279 g/mol🔬 EPA CompTox |
| Density | 0.908 g/cm^3📊 OPERA |
| Boiling Point | 219.381 °C📊 OPERA |
| Melting Point | -17.847 °C📊 OPERA |
| Flash Point | 81.978 °C📊 OPERA |
| Refractive Index | 1.431 Dimensionless📊 OPERA |
| Molar Volume | 203.998 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.948 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.948 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.948 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.25 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.09 mmHg📊 OPERA |
| Viscosity | 3.245 cP📊 OPERA |
| Surface Tension | 28.321 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.655 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 52.821 cm^3/mol📊 OPERA |
| Polarizability | 20.94 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.
