3,5-Dimethylcyclohex-3-ene-1-methyl acetate (CAS 67634-25-7) — Woody Middle-top Note Fragrance Ingredient
3,5-Dimethylcyclohex-3-ene-1-methyl acetate
CAS 67634-25-7
What Is 3,5-Dimethylcyclohex-3-ene-1-methyl acetate?
3,5-Dimethylcyclohex-3-ene-1-methyl acetate is a synthetic fragrance ingredient used to create fresh, woody, and slightly fruity accords. You’ll encounter it in modern perfumes, especially those aiming for a crisp, outdoorsy character. This molecule matters because it helps perfumers build natural-smelling woody notes without relying on restricted materials like oakmoss, making fragrances more sustainable while maintaining complexity.
Safety Profile
GENERALLY SAFEWhat Does 3,5-Dimethylcyclohex-3-ene-1-methyl acetate Smell Like?
Opens with a burst of crisp, dewy greenery reminiscent of crushed pine needles at dawn, quickly revealing a heart of polished cedarwood with a subtle raspberry-like fruitiness. The dry-down is remarkably clean – like sun-warmed driftwood with a whisper of citrus peel. Unlike heavier woody materials, it maintains an airy quality throughout evaporation, leaving a trail that suggests forest walks rather than dense lumber. Works exceptionally well when paired with ozonic notes to create modern aquatic-woody hybrids.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create the illusion of driftwood without heaviness, blending with ambroxan to form the fragrance’s signature ‘salty wood’ accord that feels simultaneously rugged and refined.
Provides lift to the sandalwood base, preventing the composition from becoming too dense while adding a contemporary woody-fruity nuance that became iconic.
2D Molecular Structure
SMILES: CC1CC(COC(C)=O)CC(C)=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
This synthetic terpenoid belongs to the cyclohexene derivatives class, structurally resembling modified terpenes found in conifers. Industrially produced via acid-catalyzed esterification of dimethylcyclohexenol with acetic anhydride. The 3,5-dimethyl substitution pattern creates steric hindrance that influences volatility and odor characteristics. Unlike natural terpenes, it’s achiral due to its symmetrical substitution pattern, ensuring consistent olfactory properties batch-to-batch.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~230 °C (estimated) |
| Density | ~0.93 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Woody modifier |
| Functional Fragrances | 0.5-1% | Up to 2% | Clean woody base |
Classic Accords
Tip: Use at 0.5-1% in bases to add woody lift without dominating the composition.
Alternatives & Comparisons
More floral and less fruity, suitable when a cleaner woody note is needed without berry nuances.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards.
RIFM Assessment
Not currently evaluated by RIFM – considered low priority due to low volume of use.
Sustainability
Synthetic production avoids deforestation concerns associated with natural woody materials. Manufacturing typically uses green chemistry principles with high atom economy. Being petroleum-derived, its carbon footprint depends on feedstock sourcing and energy inputs during synthesis.
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Physicochemical Properties
DTXSID: DTXSID7052363
Physical Properties
| Molecular Weight | 182.263 g/mol🔬 EPA CompTox |
| Density | 0.944 g/cm^3📊 OPERA |
| Boiling Point | 227.103 °C📊 OPERA |
| Melting Point | 3.684 °C📊 OPERA |
| Flash Point | 86.075 °C📊 OPERA |
| Refractive Index | 1.449 Dimensionless📊 OPERA |
| Molar Volume | 195.284 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.586 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.586 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.586 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.7 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.071 mmHg📊 OPERA |
| Viscosity | 3.19 cP📊 OPERA |
| Surface Tension | 28.37 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.777 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 | 52.421 cm^3/mol📊 OPERA |
| Polarizability | 20.781 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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