1-(2,4-Dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one (CAS 69929-17-5) — Woody Middle to base Note Fragrance Ingredient
1-(2,4-Dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one
CAS 69929-17-5
What Is 1-(2,4-Dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one?
This synthetic fragrance ingredient is a specialized ketone used in modern perfumery to create fresh, woody-ambery effects. You’ll encounter it in contemporary masculine fragrances and some unisex woody-floral compositions. It matters because it provides a diffusive, long-lasting woody character that blends well with modern aromachemicals while avoiding the heaviness of traditional woody notes.
Safety Profile
USE WITH AWARENESSWhat Does 1-(2,4-Dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one Smell Like?
A diffusive woody-ambery note with crisp, modern character. Opens with a clean, slightly camphoraceous edge reminiscent of freshly cut pine wood, evolving into a smooth, slightly sweet amber-woody heart. The dry-down reveals a subtle musky undertone that provides excellent persistence. Compared to traditional woody ketones, it offers superior blending capabilities with both citrus top notes and floral heart accords without dominating compositions.
2D Molecular Structure
SMILES: CC1C=C(C)CCC1C(=O)C(C)(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
This branched-chain alicyclic ketone belongs to the family of substituted cyclohexenyl ketones. The molecule features a dimethyl-substituted cyclohexene ring coupled with a neopentyl-like carbonyl group, creating steric hindrance that influences its odor characteristics. Synthesized through Friedel-Crafts acylation of dimethylcyclohexene derivatives, its structure prevents rapid oxidation while maintaining good volatility. The electron-rich double bond adjacent to the carbonyl contributes to its distinctive woody-ambery odor profile.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Woody-ambery modifier |
| Functional Fragrance | 0.1-1% | Up to 2% | Background woody note |
| Soap & Detergent | 0.05-0.5% | Up to 1% | Limited by stability |
Classic Accords
Tip: Use as a bridge between citrus top notes and woody base materials to enhance diffusion.
Alternatives & Comparisons
More pronounced woody character with less amber, suitable when a cleaner wood note is desired.
For broader diffusion and less pronounced woody character in complex blends.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. Complies with Amendment 49 general ketone guidelines.
GHS Classification
RIFM Assessment
Under evaluation by RIFM. Preliminary data suggests safe use at current industry levels.
Sustainability
As a synthetic material, production avoids natural resource depletion. Manufacturing typically uses hydrocarbon feedstocks from petroleum refining byproducts. Energy efficiency depends on specific production routes, with newer catalytic methods reducing environmental impact compared to traditional Friedel-Crafts processes.
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Physicochemical Properties
DTXSID: DTXSID30867860
Physical Properties
| Molecular Weight | 194.318 g/mol🔬 EPA CompTox |
| Density | 0.883 g/cm^3📊 OPERA |
| Boiling Point | 244.504 °C📊 OPERA |
| Melting Point | 22.449 °C📊 OPERA |
| Flash Point | 92.861 °C📊 OPERA |
| Refractive Index | 1.459 Dimensionless📊 OPERA |
| Molar Volume | 218.542 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.119 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.119 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.119 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.84 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.04 mmHg📊 OPERA |
| Viscosity | 3.132 cP📊 OPERA |
| Surface Tension | 28.689 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.178 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 59.756 cm^3/mol📊 OPERA |
| Polarizability | 23.689 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.
