(Z)1-Ethoxy-3,7-dimethylocta-2,6-diene (CAS 22882-89-9) — Green Top Note Fragrance Ingredient
(Z)1-Ethoxy-3,7-dimethylocta-2,6-diene
CAS 22882-89-9
What Is (Z)1-Ethoxy-3,7-dimethylocta-2,6-diene?
(Z)1-Ethoxy-3,7-dimethylocta-2,6-diene is a synthetic fragrance ingredient used in modern perfumery to create fresh, green, and slightly fruity accords. It’s found in air fresheners, personal care products, and some contemporary fragrances. This molecule matters because it offers perfumers a versatile tool for crafting crisp top notes with excellent diffusion, bridging the gap between citrus and herbal elements in compositions.
Safety Profile
USE WITH AWARENESSWhat Does (Z)1-Ethoxy-3,7-dimethylocta-2,6-diene Smell Like?
This molecule opens with a burst of dewy greenness reminiscent of freshly crushed galbanum leaves, quickly revealing a crisp apple peel character. The heart develops a transparent floralcy akin to lily-of-the-valley, underpinned by a subtle grapefruit-like tartness. As it dries down, it leaves a clean, slightly woody trail with whispers of unripe pear. The overall effect is airy and diffusive, with moderate tenacity that makes it ideal for modern fresh florals and citrus colognes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create the ‘metallic ozone’ accord, contributing crisp green top notes that simulate the freshness of space.
Provides the initial green burst that complements the tea accord, enhancing the ‘just-steeped’ freshness.
Works alongside citrus notes to amplify the Mediterranean freshness, adding dimensionality to the top notes.
Contributes to the wet vegetal effect, mimicking rain-drenched herbs with its dewy green character.
Used sparingly to boost the green tea note and add crispness to the citrus opening.
2D Molecular Structure
SMILES: CCOC\C=C(\C)CCC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
(Z)1-Ethoxy-3,7-dimethylocta-2,6-diene belongs to the class of acyclic ethers with conjugated diene systems. The Z-configuration at the 1-position is crucial for its odor profile. Synthesized through acid-catalyzed etherification of corresponding alcohols, this molecule demonstrates how minor structural changes (ethoxy vs hydroxy) dramatically alter volatility and odor characteristics. The conjugated system contributes to its moderate stability while allowing sufficient volatility for top-note performance.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Approx. 200-210 °C (estimated) |
| Density | ~0.85 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fresh top note component |
| Functional Fragrance | 1-3% | Up to 8% | Air freshener applications |
| Personal Care | 0.2-1% | Up to 3% | Shower gels, deodorants |
| Household | 0.5-2% | Up to 5% | Clean linen type fragrances |
Classic Accords
Tip: Use in the 0.5-1.5% range to add lift to citrus top notes without overpowering delicate florals.
Alternatives & Comparisons
Provides comparable green notes with additional woody undertones for more complex accords.
Delivers fresh ozone-like effects when a more modern interpretation is needed.
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
Not currently evaluated by RIFM – recommended usage levels based on structural analogs.
Sustainability
As a synthetic material, this ingredient avoids agricultural land use but requires petrochemical feedstocks. Production typically involves moderate energy inputs. Being used at low concentrations reduces environmental load. Future green chemistry routes may improve sustainability through bio-based precursors or catalytic processes.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 22882-89-9Physical Properties
| Molecular Weight | 182.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.8🔬 PubChem |
| Boiling Point | 220 °C🔬 EPA CompTox |
| Vapor Pressure | 1 mmHg @ 25°C📊 OPERA |
| Flash Point | 85.7 °C🔬 EPA CompTox |
| Involatility Index | 0.0798💻 Calculated |
| log Kp (skin permeability) | -1.114💻 Calculated |
| SMILES | CCOCC=C(C)CCC=C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusgreen• leffingwell |
| Functional Groups | etheralkene💻 RDKit |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID8051881
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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