Ethyl 2-methyl-3-pentenoate (CAS 1617-23-8) — Green Top to middle Note Fragrance Ingredient
Ethyl 2-methyl-3-pentenoate
CAS 1617-23-8
What Is Ethyl 2-methyl-3-pentenoate?
Ethyl 2-methyl-3-pentenoate is a synthetic fragrance ingredient commonly found in fruity and floral perfumes. It contributes to fresh, green, and slightly tropical scent profiles. This molecule matters because it helps create modern, vibrant accords that mimic nature while offering stability and consistency in formulations.
Safety Profile
GENERALLY SAFEWhat Does Ethyl 2-methyl-3-pentenoate Smell Like?
Ethyl 2-methyl-3-pentenoate bursts with a crisp, green apple peel freshness that evolves into a juicy pear-like heart. The top note has a sparkling quality reminiscent of unripe tropical fruits, while the dry-down reveals subtle floral undertones with a clean, slightly woody finish. Its character is bright yet balanced – like biting into a just-ripe guava with the tartness still present but softened by sweetness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here for its energizing green-fruity effect that complements the citrus and herbal notes, creating a vibrant, refreshing tonic-like quality.
Contributes to the watery-green mango accord, providing realistic fruity facets that blend seamlessly with the vegetal and floral elements.
2D Molecular Structure
SMILES: CCOC(=O)C(C)C=CC
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl 2-methyl-3-pentenoate belongs to the ester class, synthesized through esterification reactions between appropriate carboxylic acids and ethanol. Its structure features an unsaturated carbon chain that contributes to its fresh, green odor characteristics. The molecule’s stereochemistry influences its odor profile, with different isomers exhibiting varying intensity and character.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds fruity freshness |
| Functional Fragrance | 0.1-1% | Up to 3% | Green-fruity modifier |
Classic Accords
Tip: Use to lift and brighten fruity-floral compositions without adding excessive sweetness.
Alternatives & Comparisons
More intensely fruity with apple-like character, useful when a stronger, sweeter fruity note is desired.
Longer-lasting green-fruity effect with tropical nuances, suitable for extending the note’s duration.
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
No specific RIFM assessment found for this material.
Sustainability
As a synthetic material, Ethyl 2-methyl-3-pentenoate offers consistent quality without natural sourcing constraints. Production can be optimized for minimal environmental impact through green chemistry principles.
Explore Ethyl 2-methyl-3-pentenoate
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID2051768
Physical Properties
| Molecular Weight | 142.198 g/mol🔬 EPA CompTox |
| Density | 0.873 g/cm^3🔬 EPA CTX |
| Boiling Point | 160.5 °C🔬 EPA CTX |
| Melting Point | -65.039 °C📊 OPERA |
| Flash Point | 51.86 °C📊 OPERA |
| Refractive Index | 1.431 Dimensionless📊 OPERA |
| Molar Volume | 158.063 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.395 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.395 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.395 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.89 Log10 unitless📊 OPERA |
| Water Solubility | 0.015 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 2.814 mmHg📊 OPERA |
| Viscosity | 0.817 cP📊 OPERA |
| Surface Tension | 25.749 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.968 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 40.903 cm^3/mol📊 OPERA |
| Polarizability | 16.215 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.
