3,5-Dimethylcyclohex-3-ene-1-carbaldehyde (CAS 68039-48-5) — Woody Middle to base Note Fragrance Ingredient
3,5-Dimethylcyclohex-3-ene-1-carbaldehyde
CAS 68039-48-5
What Is 3,5-Dimethylcyclohex-3-ene-1-carbaldehyde?
3,5-Dimethylcyclohex-3-ene-1-carbaldehyde is a synthetic fragrance ingredient used in modern perfumery. It’s found in various consumer products like body washes, candles, and fine fragrances, often contributing to fresh, woody, or citrus-like notes. This molecule matters because it adds complexity and longevity to fragrances, helping create unique scent profiles that stand out in competitive markets while being more stable than some natural alternatives.
Safety Profile
GENERALLY SAFEWhat Does 3,5-Dimethylcyclohex-3-ene-1-carbaldehyde Smell Like?
This aldehyde presents an intriguing duality – opening with crisp, almost metallic citrus tones that recall grapefruit peel and freshly cut lemongrass. As it evolves, a damp woody character emerges, like rain on cedar planks, with subtle camphoraceous undertones reminiscent of eucalyptus. The dry-down reveals a faintly sweet, resinous quality, behaving like a lighter cousin to myrrh, but with better diffusion. It maintains remarkable tenacity for an aldehyde, persisting as a transparent woody-amber whisper for hours.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a modern woody-green backbone, replacing traditional oakmoss with brighter, more compliant greenness that meets IFRA standards while maintaining depth.
Provides subtle woody-citrus lift to the amber accord, enhancing diffusion without competing with the saffron and jasmine heart notes.
2D Molecular Structure
SMILES: CC1CC(CC(C)=C1)C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
As a cyclic unsaturated aldehyde, 3,5-Dimethylcyclohex-3-ene-1-carbaldehyde belongs to the terpenoid family, synthesized through Diels-Alder reactions of myrcene derivatives followed by selective oxidation. The molecule’s reactivity stems from both the conjugated double bond system and the aldehyde group, requiring stabilization with antioxidants in formulations. Industrial production typically involves catalytic isomerization of pinene derivatives, with the final product often existing as a mixture of stereoisomers that influence odor profile.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Estimated 210-230°C |
| Density | ~0.92 g/cm³ (estimated) |
| Refractive Index | ~1.48 (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds woody-citrus complexity |
| Functional Fragrances | 0.1-0.5% | Up to 1% | For freshness in detergents |
Classic Accords
Tip: Stabilize with 0.1% BHT to prevent oxidation during storage.
Alternatives & Comparisons
More fruity-woody with better stability, preferred for tropical or gourmand applications where sweeter woods are needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under any IFRA standards (as of Amendment 51).
RIFM Assessment
Under evaluation by RIFM, preliminary data suggests low sensitization potential.
Sustainability
As a synthetic material, production avoids agricultural land use but requires petrochemical feedstocks. Manufacturers are developing bio-based routes using fermentation-derived terpenes to reduce environmental impact. The material’s potency allows for low usage rates, reducing overall carbon footprint per kilogram of fragrance.
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References
- Brenna, E. et al. (2012). Cyclic Terpene Aldehydes in Modern Perfumery. Flavour and Fragrance Journal.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID4052390
Physical Properties
| Molecular Weight | 138.21 g/mol🔬 EPA CompTox |
| Density | 0.948 g/cm^3📊 OPERA |
| Boiling Point | 194.547 °C📊 OPERA |
| Melting Point | -5.239 °C📊 OPERA |
| Flash Point | 61.792 °C📊 OPERA |
| Refractive Index | 1.512 Dimensionless📊 OPERA |
| Molar Volume | 144.3 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.767 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.767 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.767 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.32 Log10 unitless📊 OPERA |
| Water Solubility | 0.011 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.466 mmHg📊 OPERA |
| Viscosity | 1.893 cP📊 OPERA |
| Surface Tension | 34.448 dyn/cm📊 OPERA |
| Thermal Conductivity | 125.35 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 | 43.295 cm^3/mol📊 OPERA |
| Polarizability | 17.164 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.
