Ethyl 2-methylbutyrate (CAS 7452-79-1) — Sweet Top Note Fragrance Ingredient
Ethyl 2-methylbutyrate
CAS 7452-79-1
What Is Ethyl 2-methylbutyrate?
Ethyl 2-methylbutyrate is a fruity ester commonly used in food flavoring and perfumery. You’ll encounter it in apple, strawberry, and tropical fruit flavorings, as well as in fresh, fruity perfumes. This ingredient matters because it adds a juicy, ripe fruit character that’s essential for creating realistic fruit accords and bright top notes in fragrances.
Safety Profile
GENERALLY SAFEWhat Does Ethyl 2-methylbutyrate Smell Like?
Ethyl 2-methylbutyrate bursts with an intense, mouthwatering fruitiness – imagine biting into a perfectly ripe Golden Delicious apple with a splash of pineapple juice. The top note is all juicy exuberance: tart green apple skins giving way to sweeter strawberry jam. As it evolves, it reveals a creamy, almost banana-like undertone before drying down to a faint, sweet-woody whisper. The effect is remarkably fresh yet substantial, with enough tenacity to support other fleeting top notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create the illusion of crushed tomato leaves and green apples, giving an ultra-fresh garden effect that made this fragrance revolutionary for its time.
Provides the crisp fruity lift that balances the citrus and tea notes, creating a refreshing yet subtly sweet effect reminiscent of iced fruit tea.
2D Molecular Structure
SMILES: CCOC(=O)C(C)CC
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl 2-methylbutyrate belongs to the ester class, formed through esterification of 2-methylbutyric acid with ethanol. While it occurs naturally in apples and strawberries, the commercial material is almost exclusively synthetic. Industrial production typically involves acid-catalyzed Fischer esterification under controlled conditions. The molecule’s chirality affects its odor profile – the (S)-enantiomer is notably fruitier than its (R)-counterpart, though most commercial material is racemic.
Physical & Chemical Properties
| Boiling Point | 132-134 °C |
|---|---|
| Density | 0.868 g/cm³ |
| Refractive Index | 1.400-1.404 |
| Flash Point | 27 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Adds fruity lift to fresh compositions |
| Functional Fragrance | 0.1-1% | Up to 2% | Used in detergents for fresh fruit effect |
Classic Accords
Tip: Use at 0.1-0.5% in citrus colognes to add dimension without overpowering.
Alternatives & Comparisons
More apple-like with less tropical character, useful when a greener fruit effect is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under IFRA standards.
GHS Classification
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
As a synthetic material, ethyl 2-methylbutyrate has minimal environmental impact in production. Its high potency means very small quantities are needed, reducing resource consumption. Unlike natural extracts, it doesn’t require agricultural land or seasonal harvesting.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 978-1-4200-9077-2
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID3052488
Physical Properties
| Molecular Weight | 130.187 g/mol🔬 EPA CompTox |
| Density | 0.859 g/cm^3🔬 EPA CTX |
| Boiling Point | 132.667 °C🔬 EPA CTX |
| Melting Point | -78.962 °C📊 OPERA |
| Flash Point | 31.65 °C🔬 EPA CTX |
| Refractive Index | 1.404 Dimensionless📊 OPERA |
| Molar Volume | 147.942 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.093 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.093 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.89 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.001 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 17.584 mmHg🔬 EPA CTX |
| Viscosity | 0.764 cP📊 OPERA |
| Surface Tension | 24.646 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.573 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 | 36.212 cm^3/mol📊 OPERA |
| Polarizability | 14.356 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.
