Ethyl valerate (CAS 539-82-2) — Sweet Top Note Fragrance Ingredient
Ethyl valerate
CAS 539-82-2
What Is Ethyl valerate?
Ethyl valerate is a fruity-smelling compound often used in food flavorings and perfumes. You might recognize it in apple-flavored candies or tropical fruit fragrances. This ingredient matters because it adds authentic, juicy fruit notes that last through the dry-down of a fragrance, making scents smell more natural and appetizing.
Safety Profile
GENERALLY SAFEWhat Does Ethyl valerate Smell Like?
Ethyl valerate bursts with an intensely sweet, ripe apple aroma that’s almost candied in its brightness. The initial impression is like biting into a Fuji apple dipped in caramel, with a subtle tropical undertone reminiscent of pineapple. As it evolves, the sweetness softens into a more rounded fruit bowl effect, leaving behind a clean, slightly green finish that prevents it from becoming cloying. In dry-down, it maintains a faint juicy character that blends seamlessly with floral and woody notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Provides the crisp apple top note that makes this fragrance so instantly recognizable and refreshing.
Forms the core of the photorealistic apple accord that defines this bestselling fruity-floral.
Used sparingly to accentuate the marine notes with a subtle fruity lift in this masculine fragrance.
Blends with pear notes to create a sophisticated orchard fruit effect in this modern classic.
2D Molecular Structure
SMILES: CCCCC(=O)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl valerate is an ester formed from ethanol and valeric acid. This simple molecular structure (C7H14O2) is responsible for its excellent volatility and fruity character. Industrially produced through acid-catalyzed esterification, it’s a staple in both flavor and fragrance chemistry. The molecule lacks chirality, making synthesis straightforward. Its relatively low molecular weight (130.18 g/mol) contributes to its high vapor pressure and immediate olfactory impact.
Physical & Chemical Properties
| Boiling Point | 145-146 °C |
|---|---|
| Density | 0.877 g/cm³ |
| Flash Point | 35 °C |
| Vapor Pressure | 5.3 mmHg at 25°C |
| Solubility | Slightly soluble in water, miscible with alcohol |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used sparingly for top notes |
| Functional Fragrance | 0.1-1% | Up to 3% | Shampoos, soaps |
| Food Flavoring | 10-50 ppm | Up to 100 ppm | Apple, pineapple flavors |
Classic Accords
Tip: Use in trace amounts with citrus oils to prevent the fruit note from becoming too candied.
Alternatives & Comparisons
For a greener, less sweet fruit effect with similar volatility.
When a more tropical, pineapple-like fruit note is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards.
GHS Classification
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
As a petrochemical-derived material, ethyl valerate has moderate environmental impact. Some producers now offer bio-based versions fermented from plant sugars, reducing carbon footprint. Its high potency means minimal quantities are needed in formulations.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. Book reference
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 539-82-2Physical Properties
| Molecular Weight | 130.18 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.9🔬 PubChem |
| Boiling Point | 144 °C🔬 EPA CompTox |
| Vapor Pressure | 4.843 mmHg @ 25°C📊 OPERA |
| Flash Point | 38.9 °C🔬 EPA CompTox |
| Involatility Index | 0.4575💻 Calculated |
| log Kp (skin permeability) | -2.145💻 Calculated |
| SMILES | CCCCC(=O)OCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | applefruitypineappletropical• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Powerful and diffusive, ethereal-fruity, Apple-like odor with a remote resemblance to Pineapple. Esters with traces of free acids will show this very perceptibly in the odor, not so conspicuously in the flavor (in aqueous media).”📖 Arctander | |
| Ethyl valerate has a fruity odor suggestive of apple.📖 Fenaroli | |
Flavor Notes (Arctander)
| “0.25% soluble in water, soluble in alcohol and Propylene glycol, miscible with perfume and flavor oils. Powerful and diffusive, ethereal-fruity, Apple-like odor with a remote resemblance to Pineapple. Esters with traces of free acids will show this very perceptibly in the odor, not so conspicuously ”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 1.0044 ppm (n=18)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2462⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| 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: DTXSID6040161
Physical Properties
| Molecular Weight | 130.187 g/mol🔬 EPA CompTox |
| Density | 0.871 g/cm^3🔬 EPA CTX |
| Boiling Point | 145.2 °C🔬 EPA CTX |
| Melting Point | -80.545 °C🔬 EPA CTX |
| Flash Point | 36.525 °C🔬 EPA CTX |
| Refractive Index | 1.406 Dimensionless📊 OPERA |
| Molar Volume | 147.565 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.16 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.16 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.16 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.09 Log10 unitless📊 OPERA |
| Water Solubility | 0.018 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 4.821 mmHg🔬 EPA CTX |
| Viscosity | 0.822 cP📊 OPERA |
| Surface Tension | 25.91 dyn/cm📊 OPERA |
| Thermal Conductivity | 137.547 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 | 36.254 cm^3/mol📊 OPERA |
| Polarizability | 14.372 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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