6,10-Dodecadienal, 3,7,11-trimethyl-, (6E)- (CAS 51513-58-7) — Green Top to Heart Note Fragrance Ingredient
6,10-Dodecadienal, 3,7,11-trimethyl-, (6E)-
CAS 51513-58-7
What Is 6,10-Dodecadienal, 3,7,11-trimethyl-, (6E)-?
6,10-Dodecadienal, 3,7,11-trimethyl-, (6E)- is a synthetic fragrance ingredient primarily used in perfumery to add fresh, green, and floral nuances. It is not commonly found in household products but is used by professional perfumers. This molecule is valued for its ability to enhance naturalistic floral and green accords, contributing to the complexity and longevity of high-end fragrances.
Safety Profile
USE WITH AWARENESSWhat Does 6,10-Dodecadienal, 3,7,11-trimethyl-, (6E)- Smell Like?
This aldehyde delivers a crisp, green, and slightly floral aroma with a fresh, leafy undertone. It evolves on the skin, starting with a sharp, aldehydic burst that quickly mellows into a soft, floral heart. The dry-down reveals a subtle woody nuance, making it versatile in floral and green compositions. Its scent profile is reminiscent of crushed leaves and fresh-cut stems, adding a naturalistic edge to fragrances.
2D Molecular Structure
SMILES: CC(CC\C=C(/C)CCC=C(C)C)CC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
6,10-Dodecadienal, 3,7,11-trimethyl-, (6E)- is a synthetic aldehyde with a linear, unsaturated carbon backbone. It belongs to the class of long-chain aldehydes, which are known for their green and floral olfactory characteristics. The molecule is typically synthesized through controlled oxidation of corresponding alcohols or via aldol condensation reactions. Its (6E)- configuration is crucial for its specific scent profile, as geometric isomers can exhibit different odor qualities.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds green floral nuances |
| Functional Fragrance | 0.1-1% | Up to 2% | Used sparingly for freshness |
Classic Accords
Tip: Use in trace amounts to avoid overpowering green notes in floral compositions.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. General usage guidelines for aldehydes apply.
RIFM Assessment
No specific RIFM assessment available. General aldehyde safety protocols recommended.
Sustainability
As a synthetic ingredient, 6,10-Dodecadienal, 3,7,11-trimethyl-, (6E)- is produced in controlled laboratory settings, reducing environmental impact compared to natural extraction. Its synthesis can be optimized for minimal waste and energy use, aligning with green chemistry principles.
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Physicochemical Properties
DTXSID: DTXSID80885958
Physical Properties
| Molecular Weight | 222.372 g/mol🔬 EPA CompTox |
| Density | 0.849 g/cm^3📊 OPERA |
| Boiling Point | 282.34 °C📊 OPERA |
| Melting Point | 17.224 °C📊 OPERA |
| Flash Point | 124.25 °C📊 OPERA |
| Refractive Index | 1.461 Dimensionless📊 OPERA |
| Molar Volume | 260.664 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.352 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.352 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.352 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.44 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.018 mmHg📊 OPERA |
| Viscosity | 3.569 cP📊 OPERA |
| Surface Tension | 26.722 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.25 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 | 71.488 cm^3/mol📊 OPERA |
| Polarizability | 28.34 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.
