Ethyl (E)hex-3-enoate (CAS 26553-46-8) — Green Top to Mid Note Fragrance Ingredient
Ethyl (E)hex-3-enoate
CAS 26553-46-8
What Is Ethyl (E)hex-3-enoate?
Ethyl (E)-hex-3-enoate is a synthetic fragrance compound that creates a fresh, fruity-green aroma. You’ll encounter it in perfumes, body care products, and sometimes in flavored foods as a subtle green note. This ingredient matters because it adds a crisp, natural freshness to fragrances—like the scent of just-cut grass mixed with unripe fruit—helping create vibrant top notes that feel alive.
Safety Profile
GENERALLY SAFEWhat Does Ethyl (E)hex-3-enoate Smell Like?
Ethyl (E)-hex-3-enoate bursts with a sharp, electric greenness—imagine snapping a fresh pea pod mixed with the tang of underripe kiwi. The opening is intensely verdant, almost vegetal, then softens into a watery-fruity heart reminiscent of green apples and melon rind. As it dries, a subtle waxy note emerges, like the after-scent of crushed leaves on warm skin. Its linear character maintains the same vibrant green signature throughout evaporation, making it ideal for creating persistent fresh effects in floral and fruity compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to craft the illusion of crushed green mango stalks—its sharp greenness contrasts beautifully with the citrus and floral notes, creating an aqueous, living quality.
Provides the dewy green top note that mimics freshly cut stems, enhancing the watery floralcy with crisp naturalism.
2D Molecular Structure
SMILES: CCOC(=O)C\C=C\CC
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl (E)-hex-3-enoate belongs to the ester class, synthesized via esterification of (E)-hex-3-enoic acid with ethanol. The trans (E) configuration at the double bond is crucial for its characteristic green odor—the cis isomer smells markedly different. Industrial production often employs acid-catalyzed reactions or enzymatic methods for higher stereoselectivity. Unlike many green-smelling compounds (e.g., hexenols), this ester offers superior stability and resistance to oxidation due to its saturated ethyl group.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Boiling Point | ~195-200 °C (estimated) |
| Density | ~0.89 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Green top note accent |
| Functional Fragrances | 0.1-0.5% | Up to 1% | Freshness booster |
Classic Accords
Tip: Stabilize in ethanol-heavy bases to prevent ester hydrolysis over time.
Alternatives & Comparisons
More intensely grassy but less stable—use when a raw vegetative punch is needed.
Softer green-fruity character for longer-lasting effects in gourmands.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under IFRA 51st Amendment. No usage limits established.
RIFM Assessment
RIFM evaluation pending as of 2023. Preliminary data suggests low sensitization risk.
Sustainability
As a purely synthetic material, production avoids agricultural land use. Typical synthesis routes employ petrochemical feedstocks, though bio-based routes using fermented hexenoic acid are under development. Carbon footprint is moderate compared to natural extracts—one LCA study estimated ~3.2 kg CO2e per kg output.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439847503
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID70885361
Physical Properties
| Molecular Weight | 142.198 g/mol🔬 EPA CompTox |
| Density | 0.906 g/cm^3📊 OPERA |
| Boiling Point | 167.724 °C📊 OPERA |
| Melting Point | -61.084 °C📊 OPERA |
| Flash Point | 59.475 °C🔬 EPA CTX |
| Refractive Index | 1.433 Dimensionless📊 OPERA |
| Molar Volume | 157.686 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.38 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.38 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.38 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.5 Log10 unitless📊 OPERA |
| Water Solubility | 0.013 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.802 mmHg📊 OPERA |
| Viscosity | 0.883 cP📊 OPERA |
| Surface Tension | 26.739 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.369 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 40.944 cm^3/mol📊 OPERA |
| Polarizability | 16.232 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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