2-trans-6-cis-Dodecadienal (CAS 21662-13-5) — Green Top to middle Note Fragrance Ingredient
2-trans-6-cis-Dodecadienal
CAS 21662-13-5
What Is 2-trans-6-cis-Dodecadienal?
2-trans-6-cis-Dodecadienal is a synthetic fragrance molecule that creates fresh, green, cucumber-like notes in perfumes and personal care products. You’ll find it in high-end fragrances where a crisp, watery effect is desired. This aldehyde is prized for its ability to add a dewy, vegetal freshness that lasts through the dry-down of a fragrance.
Safety Profile
USE WITH AWARENESSWhat Does 2-trans-6-cis-Dodecadienal Smell Like?
2-trans-6-cis-Dodecadienal bursts with an intense, refreshing greenness reminiscent of freshly cut cucumber peel and watermelon rind. The initial impression is sharply aquatic, evolving into a softer, more rounded melon-like character. As it dries down, it reveals a subtle floral undertone that adds complexity to its primarily green profile. The molecule has excellent diffusion, creating an airy, expansive freshness that works particularly well in modern aquatic and floral compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to create the signature watery freshness that defines this modern cologne, blending seamlessly with violet leaf and citrus notes.
Contributes to the iconic dewy lotus effect in this aquatic masterpiece, enhancing the floralcy without overpowering.
2D Molecular Structure
SMILES: CCCCC\C=C/CC\C=C\C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-trans-6-cis-Dodecadienal is an unsaturated aldehyde with a 12-carbon chain. The specific trans-cis configuration at positions 2 and 6 creates its characteristic odor profile. Industrially synthesized through controlled oxidation of corresponding alcohols or Wittig reactions, its stereochemistry is carefully controlled during production. The molecule’s reactivity makes it prone to oxidation, requiring careful handling and stabilization in formulations.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | Extremely low (ppb range) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used for fresh top notes |
| Functional Products | 0.1-0.5% | Up to 1% | Adds freshness to body care |
Classic Accords
Tip: Stabilize with antioxidants and use in alcohol bases to prevent premature oxidation.
Alternatives & Comparisons
Shorter chain version with more intense cucumber character but poorer longevity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
IFRA 49th Amendment restricts to 0.5% in leave-on products due to sensitization potential.
EU Allergen Declaration
Not currently listed as EU allergen.
GHS Classification
RIFM Assessment
RIFM assessment confirms safe use at IFRA recommended levels.
Sustainability
As a synthetic material, production is controllable with minimal environmental impact compared to natural alternatives. Current synthesis routes are being optimized to reduce energy consumption and byproducts.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
- IFRA Standards Library, 49th Amendment IFRA Official
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID60885173
Physical Properties
| Molecular Weight | 180.291 g/mol🔬 EPA CompTox |
| Density | 0.862 g/cm^3📊 OPERA |
| Boiling Point | 253.972 °C📊 OPERA |
| Melting Point | 5.742 °C📊 OPERA |
| Flash Point | 106.098 °C📊 OPERA |
| Refractive Index | 1.461 Dimensionless📊 OPERA |
| Molar Volume | 211.164 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.247 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.247 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.247 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.83 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.01 mmHg📊 OPERA |
| Viscosity | 2.021 cP📊 OPERA |
| Surface Tension | 29.679 dyn/cm📊 OPERA |
| Thermal Conductivity | 148.538 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 | 8 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 57.946 cm^3/mol📊 OPERA |
| Polarizability | 22.971 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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