Ethyl trans-2-decenoate (CAS 7367-88-6) — Sweet Top to middle Note Fragrance Ingredient
Ethyl trans-2-decenoate
CAS 7367-88-6
What Is Ethyl trans-2-decenoate?
Ethyl trans-2-decenoate is a synthetic fragrance ingredient that mimics the crisp, fruity notes found in nature. You’ll encounter it in perfumes, body care products, and some food flavorings. This ester adds a sophisticated fruity-floral dimension to fragrances, often used to create the illusion of fresh-cut pears or dewy gardenias. Its clean, non-cloying character makes it valuable for modern floral and fruity compositions where natural extracts might be too heavy or unstable.
Safety Profile
GENERALLY SAFEWhat Does Ethyl trans-2-decenoate Smell Like?
Ethyl trans-2-decenoate bursts with the juicy sweetness of perfectly ripe Bartlett pears, underscored by a crisp green apple peel freshness. The top note has a champagne-like effervescence that gradually settles into a creamy floral heart reminiscent of gardenia petals. Unlike heavier fruit esters, it maintains an airy quality throughout evaporation, leaving just a whisper of dewy rose stems in the dry-down. The trans configuration gives it remarkable clarity—like biting into fruit so fresh it still carries morning dew.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the quince-jasmine accord, providing the ‘watercolor transparency’ that defines this flanker. The ester’s green fruity facets bridge citrus top notes to the floral heart.
Contributes to the luminous pear-iris accord that tempers the gourmand base. Its tenacity helps maintain fruity freshness despite heavy vanilla and patchouli.
2D Molecular Structure
SMILES: CCCCCCC\C=C\C(=O)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
This ethyl ester of trans-2-decenoic acid belongs to the α,β-unsaturated ester family, prized for their fresh fruity odors. The trans configuration at the double bond produces a sharper, more diffusive odor than its cis counterpart. Industrially synthesized via esterification of trans-2-decenoic acid with ethanol under acidic catalysis. The purity of starting materials is critical—even trace cis-isomers muddy the olfactory profile. Unlike many fruit esters, it shows good stability in alkaline formulations.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~245 °C (estimated) |
| Density | ~0.89 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds fruity lift to floral bouquets |
| Body Care | 0.2-1% | Up to 2% | Clean fruity note for shower gels |
Classic Accords
Tip: Use with ionones to create pear-iris illusions without the heavy fruitiness of straight pear bases.
Alternatives & Comparisons
More tropical fruit character with less freshness. Useful when a denser, riper fruit effect is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under any IFRA amendment. No usage limits specified.
RIFM Assessment
RIFM assessment confirms safe use at current industry levels with no sensitization concerns.
Sustainability
As a synthetic material, production avoids agricultural land use. The petrochemical feedstock can be replaced with bio-based ethanol and fatty acids as supply chains develop. Biodegradation studies show moderate environmental persistence—formulators should consider this in wash-off products.
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Ingredient Data Sheet
CAS 7367-88-6Physical Properties
| Molecular Weight | 198.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.4🔬 PubChem |
| Boiling Point | 133 °C🔬 EPA CompTox |
| Flash Point | 91.2 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.786💻 Calculated |
| SMILES | CCCCCCCC=CC(=O)OCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | applecitrusfruitygreenpearwaxy• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| Ethyl trans-2-decenoate has a fatty-waxy odor specific to pear peel and fruity over-ripe pear.📖 Fenaroli | |
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: DTXSID50884377
Physical Properties
| Molecular Weight | 198.306 g/mol🔬 EPA CompTox |
| Density | 0.898 g/cm^3📊 OPERA |
| Boiling Point | 250.699 °C📊 OPERA |
| Melting Point | -27.55 °C📊 OPERA |
| Flash Point | 91.075 °C🔬 EPA CTX |
| Refractive Index | 1.444 Dimensionless📊 OPERA |
| Molar Volume | 223.713 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.322 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.322 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.322 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.95 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 |
| Surface Tension | 28.496 dyn/cm📊 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 | 8 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 59.476 cm^3/mol📊 OPERA |
| Polarizability | 23.578 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.
