6,10-Dodecadienal, 3,7,11-trimethyl-, (6Z)- (CAS 172376-82-8) — Citrus Top to middle Note Fragrance Ingredient
6,10-Dodecadienal, 3,7,11-trimethyl-, (6Z)-
CAS 172376-82-8
What Is 6,10-Dodecadienal, 3,7,11-trimethyl-, (6Z)-?
6,10-Dodecadienal, 3,7,11-trimethyl-, (6Z)- is a synthetic fragrance ingredient used in perfumery to create fresh, marine, and citrus-like effects. It’s found in modern aquatic and floral fragrances. This aldehyde contributes a crisp, ozonic quality that perfumers use to evoke ocean breezes and sparkling freshness in contemporary scents.
Safety Profile
USE WITH AWARENESSWhat Does 6,10-Dodecadienal, 3,7,11-trimethyl-, (6Z)- Smell Like?
This aldehyde delivers a bright, marine freshness with citrusy undertones reminiscent of crushed grapefruit peel. The initial burst carries ozonic, almost metallic sharpness that evolves into a clean, slightly floral heart. In drydown, it reveals a subtle woody-musky base note. The overall effect is like sea spray hitting sun-warmed rocks, with a transparent quality that makes it excellent for modern aquatic compositions.
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-, (6Z)- is a branched-chain unsaturated aldehyde with a 12-carbon skeleton. As a synthetic material, it’s typically produced through controlled oxidation of corresponding alcohols or selective hydrogenation of polyunsaturated precursors. The (6Z) configuration is crucial for its characteristic marine odor profile. The molecule’s reactivity makes it valuable for creating dynamic scent evolution in fragrances.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Marine/aquatic accords |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Clean, fresh effects |
Classic Accords
Tip: Stabilize in ethanol before blending to prevent aldehyde polymerization.
Alternatives & Comparisons
Similar marine-fresh character but with more pronounced citrus and green notes, often used when greater diffusion is desired.
Provides comparable freshness with added floral aspects, useful when a softer marine effect is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. General aldehyde precautions apply.
RIFM Assessment
RIFM evaluation pending. Currently considered safe at reported usage levels.
Sustainability
As a synthetic material, this aldehyde avoids natural resource depletion concerns. Production typically uses petrochemical feedstocks, though some manufacturers are exploring bio-based routes. The material’s potency means small quantities achieve significant effects, reducing overall environmental impact per unit of fragrance.
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Physicochemical Properties
DTXSID: DTXSID30889067
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.
