Dimethylcyclohex-3-ene-1-carbaldehyde (isomer unspecified) (CAS 27939-60-2) — Green Top to middle Note Fragrance Ingredient
Dimethylcyclohex-3-ene-1-carbaldehyde (isomer unspecified)
CAS 27939-60-2
What Is Dimethylcyclohex-3-ene-1-carbaldehyde (isomer unspecified)?
Dimethylcyclohex-3-ene-1-carbaldehyde is a synthetic fragrance ingredient used in modern perfumery. It’s found in some contemporary floral and woody fragrances. This molecule contributes to fresh, green accords with subtle citrus undertones, often used to enhance natural-smelling compositions without relying on botanical extracts.
Safety Profile
USE WITH AWARENESSWhat Does Dimethylcyclohex-3-ene-1-carbaldehyde (isomer unspecified) Smell Like?
A crisp, modern aroma blending green freshness with subtle citrus facets. Opens with a bright, almost lemony burst that quickly evolves into a wet-leaf greenness reminiscent of crushed stems. The dry-down reveals a clean woody character with faint floral undertones, behaving like a more refined version of traditional green aldehydes. Its evolution is linear but sophisticated, maintaining a transparent quality that makes it excellent for modern fresh compositions.
2D Molecular Structure
SMILES: C*.C*.O=CC1CCC=CC1 |c:7,lp:4:2,m:1:7.8.9.10,3:8.9.10.11|
Chemistry, Properties & Perfumer Guide
The Chemistry
Dimethylcyclohex-3-ene-1-carbaldehyde belongs to the cyclohexene carbaldehyde class of fragrance compounds. As a synthetic molecule, it doesn’t occur naturally. The unspecified isomer mixture suggests varying positions of methyl groups around the cyclohexene ring, which affects odor profile. Synthesis typically involves Diels-Alder reactions followed by oxidation steps. The aldehyde group contributes significantly to its volatility and odor characteristics.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fresh top note modifier |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Green accent |
Classic Accords
Tip: Use to extend the freshness of citrus top notes into the heart phase.
Alternatives & Comparisons
More floral character with similar green freshness, better substantivity
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific restrictions under current IFRA standards.
RIFM Assessment
Limited safety assessment data available from RIFM.
Sustainability
As a synthetic material, production avoids agricultural land use. However, petrochemical sourcing raises carbon footprint concerns. Future green chemistry routes could improve sustainability profile.
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Physicochemical Properties
DTXSID: DTXSID5044813
Physical Properties
| Density | 0.931 g/cm^3🔬 EPA CTX |
| Boiling Point | 195.4 °C🔬 EPA CTX |
| Flash Point | 64.5 °C🔬 EPA CTX |
Partition & Solubility
| LogP (Octanol-Water) | 3.1 Log10 unitless🔬 EPA CTX |
| Water Solubility | 0.003 mol/L🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.496 mmHg🔬 EPA CTX |
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 |
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.
