Ethyl trans-2,cis-4-decadienoate (CAS 3025-30-7) — Sweet Top to middle Note Fragrance Ingredient
Ethyl trans-2,cis-4-decadienoate
CAS 3025-30-7
What Is Ethyl trans-2,cis-4-decadienoate?
Ethyl trans-2,cis-4-decadienoate is a synthetic fragrance ingredient often found in fruity and pear-like perfumes. It mimics the fresh, juicy aroma of ripe pears. This molecule matters because it adds realistic fruit nuances to fragrances without using natural extracts, making scents more affordable and consistent.
Safety Profile
GENERALLY SAFEWhat Does Ethyl trans-2,cis-4-decadienoate Smell Like?
A burst of ultra-ripe Bartlett pears with a candied edge, like pear drops dissolving on the tongue. The top note has a slightly green, alcoholic sharpness that quickly mellows into a rounded fruity heart. Dry-down reveals a waxy, slightly fatty undertone reminiscent of pear skin, with lingering sweet-woody facets that add tenacity.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Provides the photorealistic pear top note that defines this fragrance, blending seamlessly with freesia for a dewy orchard effect.
Used sparingly to lift the dark angelica with a surprising fruity flash, creating contrast in this gothic composition.
2D Molecular Structure
SMILES: CCCCC\C=C/C=C/C(=O)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl trans-2,cis-4-decadienoate belongs to the ester class, specifically a diunsaturated fatty acid ester. While not found in nature, it’s synthesized via esterification of trans-2,cis-4-decadienoic acid with ethanol. The trans-cis configuration across conjugated double bonds is crucial for its characteristic pear odor. Industrial synthesis typically employs acid-catalyzed reactions under controlled conditions to maintain the precise double bond geometry.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | 0.1 ppb in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | For fruity top notes |
| Functional Fragrance | 0.01-0.1% | Up to 0.2% | Pear shampoo/soap applications |
Classic Accords
Tip: Stabilize in ethanol before adding to aqueous systems to prevent hydrolysis.
Alternatives & Comparisons
More cost-effective pear note but less natural character. Use when budget constraints outweigh authenticity needs.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards.
RIFM Assessment
Under review – preliminary data suggests low sensitization potential.
Sustainability
Synthetic production from petrochemical precursors raises carbon footprint concerns, but its high potency means minimal quantities are needed. No known bio-based production routes currently exist.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090772
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 3025-30-7Physical Properties
| Molecular Weight | 196.29 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4🔬 PubChem |
| Boiling Point | 70 °C🔬 EPA CompTox |
| Vapor Pressure | 1.2001 mmHg @ 25°C📊 OPERA |
| Flash Point | 113.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0923💻 Calculated |
| log Kp (skin permeability) | -1.057💻 Calculated |
| SMILES | CCCCCC=CC=CC(=O)OCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | applepear• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| Ethyl-trans-2, cis-4-decadienoate has a characteristic pear-like flavor.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 0.1 ppm📖 van Gemert |
Regulatory Status
| IOFI Classification | Nature Identical📖 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: DTXSID0041357
Physical Properties
| Molecular Weight | 196.29 g/mol🔬 EPA CompTox |
| Density | 0.905 g/cm^3🔬 EPA CTX |
| Boiling Point | 248.8 °C🔬 EPA CTX |
| Melting Point | -60.3 °C🔬 EPA CTX |
| Flash Point | 113.05 °C🔬 EPA CTX |
| Refractive Index | 1.46 Dimensionless📊 OPERA |
| Molar Volume | 217.328 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.155 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.155 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.155 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.8 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.2 mmHg🔬 EPA CTX |
| Surface Tension | 28.516 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 | 7 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 59.534 cm^3/mol📊 OPERA |
| Polarizability | 23.601 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.
