6,10-Dodecadienal, 3,7,11-trimethyl-, (3S,6E)- (CAS 194934-66-2) — Citrus Top to Middle Note Fragrance Ingredient
6,10-Dodecadienal, 3,7,11-trimethyl-, (3S,6E)-
CAS 194934-66-2
What Is 6,10-Dodecadienal, 3,7,11-trimethyl-, (3S,6E)-?
6,10-Dodecadienal, 3,7,11-trimethyl-, (3S,6E)- is a synthetic fragrance ingredient often used to impart fresh, citrusy, and slightly floral nuances to perfumes and scented products. It is typically found in fine fragrances, body care products, and household cleaners. This molecule is valued for its ability to enhance the brightness and longevity of citrus and floral accords, making it a versatile tool for perfumers seeking vibrant, long-lasting top notes.
Safety Profile
GENERALLY SAFEWhat Does 6,10-Dodecadienal, 3,7,11-trimethyl-, (3S,6E)- Smell Like?
6,10-Dodecadienal, 3,7,11-trimethyl-, (3S,6E)- opens with a burst of fresh citrus, reminiscent of zesty grapefruit and lemon peel, with a subtle green undertone. As it evolves, the heart reveals a delicate floral character, akin to neroli or orange blossom, balanced by a clean, slightly woody base. The dry-down is smooth and lingering, with a soft, almost musky finish that adds depth without overwhelming. This ingredient is prized for its ability to bridge citrus and floral notes seamlessly, creating a vibrant yet sophisticated aroma profile.
2D Molecular Structure
SMILES: C[C@@H](CC\C=C(/C)CCC=C(C)C)CC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
6,10-Dodecadienal, 3,7,11-trimethyl-, (3S,6E)- is a synthetic aldehyde belonging to the family of unsaturated fatty aldehydes. It is structurally related to natural compounds found in citrus oils and floral extracts. The molecule features a 12-carbon chain with three methyl groups and two double bonds, one of which is in the (E)-configuration at the 6-position. The (3S)-chirality contributes to its specific olfactory profile. Synthesis typically involves oxidation of the corresponding alcohol or through olefin metathesis to introduce the double bonds.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
| Vapor Pressure | N/A |
| Solubility | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds brightness to citrus and floral accords |
| Body Care | 0.5-3% | Up to 5% | Enhances freshness in soaps and lotions |
| Household Cleaners | 0.1-1% | Up to 2% | Provides long-lasting citrus notes |
Classic Accords
Tip: Use in small amounts to avoid overpowering the blend; it works well as a top note enhancer.
Alternatives & Comparisons
A more intense citrus aldehyde with stronger lemon character, suitable for higher-impact citrus accords.
A softer, more floral aldehyde with less citrus intensity, ideal for delicate floral compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply to 6,10-Dodecadienal, 3,7,11-trimethyl-, (3S,6E)-.
RIFM Assessment
RIFM has not yet published a safety assessment for this specific isomer.
Sustainability
As a synthetic ingredient, 6,10-Dodecadienal, 3,7,11-trimethyl-, (3S,6E)- offers a sustainable alternative to natural citrus and floral extracts, which can be resource-intensive to produce. Its synthesis can be optimized for minimal environmental impact, though the exact production methods and sourcing of raw materials vary by manufacturer.
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Physicochemical Properties
DTXSID: DTXSID101019396
Physical Properties
| Molecular Weight | 222.372 g/mol🔬 EPA CompTox |
| Density | 0.865 g/cm^3🔬 EPA CTX |
| Boiling Point | 286.85 °C🔬 EPA CTX |
| Melting Point | 17.224 °C📊 OPERA |
| Flash Point | 136 °C🔬 EPA CTX |
| Refractive Index | 1.461 Dimensionless📊 OPERA |
| Molar Volume | 260.664 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 6.21 Log10 unitless🔬 EPA CTX |
| 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🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.003 mmHg🔬 EPA CTX |
| 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.
