(E)-1-Ethoxy-3,7-dimethylocta-2,6-diene (CAS 22882-91-3) — Citrus Top Note Fragrance Ingredient
(E)-1-Ethoxy-3,7-dimethylocta-2,6-diene
CAS 22882-91-3
What Is (E)-1-Ethoxy-3,7-dimethylocta-2,6-diene?
(E)-1-Ethoxy-3,7-dimethylocta-2,6-diene is a synthetic fragrance ingredient used to create fresh, green, and citrusy notes in perfumes and scented products. You’ll encounter it in fine fragrances, body care items, and household cleaners. This molecule matters because it helps perfumers achieve natural-smelling citrus effects without relying on volatile citrus oils that fade quickly.
Safety Profile
GENERALLY SAFEWhat Does (E)-1-Ethoxy-3,7-dimethylocta-2,6-diene Smell Like?
This molecule bursts with a crisp, green citrus character reminiscent of freshly peeled grapefruit zest with subtle floral undertones. The initial impression is bright and slightly aldehydic, evolving into a cleaner, soapy freshness reminiscent of high-end laundry products. As it dries down, it reveals a soft woody-herbal nuance that blends seamlessly with other notes. The overall effect is like walking through a citrus grove at dawn when the leaves are still dewy.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the sparkling citrus top notes while adding green persistence that outlasts natural citrus oils.
Provides the crisp, clean citrus-green accent that complements the apple and bamboo notes in this summer favorite.
2D Molecular Structure
SMILES: CCOC\C=C(/C)CCC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
(E)-1-Ethoxy-3,7-dimethylocta-2,6-diene belongs to the class of linear terpenoid ethers. While not found in nature, its structure mimics oxidized terpenes. It’s typically synthesized via acid-catalyzed condensation of citral derivatives with ethanol. The E-configuration at the 2,6-diene moiety is crucial for its characteristic odor profile. The ethoxy group provides stability compared to more volatile citrus aldehydes.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | 0.01 ppm (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Citrus-green accent |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Freshness booster |
Classic Accords
Tip: Use with citrus oils to extend their longevity while maintaining transparency.
Alternatives & Comparisons
Offers similar citrus character with greater stability in alkaline formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
Under evaluation by RIFM (as of 2023). Preliminary data suggests low sensitization potential.
Sustainability
As a synthetic material, this ingredient doesn’t rely on agricultural resources. Its production has relatively low environmental impact compared to natural citrus oil extraction. The synthesis can be optimized for atom economy and reduced solvent use.
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References
- Bauer et al. (2001). Modern Synthetic Routes to Fragrance Ingredients. Chemistry & Biodiversity. DOI:10.1002/cbdv.200100001
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID00885218
Physical Properties
| Molecular Weight | 182.307 g/mol🔬 EPA CompTox |
| Density | 0.841 g/cm^3📊 OPERA |
| Boiling Point | 227.887 °C📊 OPERA |
| Melting Point | -34.587 °C📊 OPERA |
| Flash Point | 81.943 °C📊 OPERA |
| Refractive Index | 1.451 Dimensionless📊 OPERA |
| Molar Volume | 219.811 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.926 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.926 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.926 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.74 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.375 mmHg📊 OPERA |
| Viscosity | 1.674 cP📊 OPERA |
| Surface Tension | 25.536 dyn/cm📊 OPERA |
| Thermal Conductivity | 131.021 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 59.19 cm^3/mol📊 OPERA |
| Polarizability | 23.465 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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