Ethyl isovalerate (CAS 108-64-5) — Sweet Top Note Fragrance Ingredient
Ethyl isovalerate
CAS 108-64-5
What Is Ethyl isovalerate?
Ethyl isovalerate is a fruity-smelling compound often used in food flavorings and perfumes. You might encounter it in apple-flavored candies or tropical fruit fragrances. This ingredient matters because it adds a bright, juicy character to products, enhancing both taste and scent experiences with its natural-seeming fruitiness.
Safety Profile
GENERALLY SAFEWhat Does Ethyl isovalerate Smell Like?
Ethyl isovalerate bursts with an intense, ripe apple peel aroma layered over tropical pineapple flesh. The top note is all juicy immediacy – like biting into a just-picked Fuji apple with a side of overripe banana. As it evolves, a creamy pear-like roundness emerges, settling into a sweet, slightly fermented fruitiness reminiscent of tropical fruit salad left warming in the sun. The dry-down reveals a faint green stemminess that keeps the sweetness from cloying.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the marine-fruity accord, adding sparkling apple-like freshness that cuts through the bay leaf and ambergris base. Provides immediate juicy impact in the top notes.
The ethyl isovalerate works with citrus notes to create a crisp, energizing effect. Its apple character enhances the ginger and woods for a modern masculine twist.
A key player in the hyper-realistic apple accord, contributing to the photorealistic fruitiness that defines this iconic fragrance. Blends with cucumber and grapefruit for freshness.
Provides the ripe stone fruit character that bridges the citrus top and honeyed base. Adds dimensionality to the peach notes with its complex fruity facets.
Used here in overdose to create an almost candied fruit effect, playing against the basil and citrus for a gourmand-cocktail impression. The ethyl isovalerate makes the fruit accord pop.
2D Molecular Structure
SMILES: CCOC(=O)CC(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl isovalerate is an ester formed from isovaleric acid and ethanol. This simple ester structure is responsible for its excellent volatility and fruity character. Industrially produced via acid-catalyzed esterification, it’s a workhorse of fruit flavor chemistry. The branched carbon chain of the isovalerate moiety contributes to its distinctive apple-like odor profile, differing from straight-chain esters which tend toward more generic fruitiness. While naturally occurring in some fruits, commercial production is almost entirely synthetic due to cost efficiency and purity requirements.
Physical & Chemical Properties
| Boiling Point | 134-136 °C |
|---|---|
| Density | 0.865 g/cm³ |
| Refractive Index | 1.396-1.400 |
| Flash Point | 27 °C |
| Solubility | Slightly soluble in water, miscible with alcohol |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Fruity top note booster |
| Functional Fragrance | 0.1-1% | Up to 2% | Adds fruity freshness to cleaners |
| Flavor | 10-50 ppm | Up to 100 ppm | Apple and tropical fruit profiles |
| Body Care | 0.05-0.5% | Up to 1% | Light fruity accent |
Classic Accords
Tip: Use at 0.2-0.5% in citrus colognes to add fruity dimensionality without overwhelming freshness.
Alternatives & Comparisons
More intense apple character with less tropical nuance. Higher impact at lower doses but can dominate blends.
Pear-like fruitiness with better tenacity. Less sweet than ethyl isovalerate, works well in green fragrances.
Classic banana note, less refined but useful for tropical effects. More diffusive but shorter-lived.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards. Listed as safe for use in all cosmetic categories at typical usage levels.
GHS Classification
RIFM Assessment
RIFM assessment confirms safety at current usage levels. No sensitization concerns identified in repeated insult patch testing.
Sustainability
As a synthetic material, ethyl isovalerate production has minimal environmental impact compared to natural extraction. The esterification process is atom-efficient with high yields. Being petroleum-derived, its sustainability depends on the energy sources used in manufacturing, but small usage quantities in fragrance make its carbon footprint negligible per finished product.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439832275
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing. ISBN 9780931710848
- PubChem Compound Summary for CID 31265 PubChem CID 31265
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 108-64-5Physical Properties
| Molecular Weight | 130.18 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.7🔬 PubChem |
| Boiling Point | 131 °C🔬 EPA CompTox |
| Vapor Pressure | 8.3004 mmHg @ 25°C📊 OPERA |
| Flash Point | 28 °C🔬 EPA CompTox |
| Involatility Index | 0.7841💻 Calculated |
| log Kp (skin permeability) | -2.287💻 Calculated |
| SMILES | CCOC(=O)CC(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | applebananabutteryfruity• leffingwell |
| Functional Groups | esterether💻 RDKit |
| Ethyl isovalerate has a fruity odor reminiscent of apple with a corresponding sweet taste.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 0.0474 ppm (n=9)📖 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: DTXSID3047057
Physical Properties
| Molecular Weight | 130.187 g/mol🔬 EPA CompTox |
| Density | 0.864 g/cm^3🔬 EPA CTX |
| Boiling Point | 133.575 °C🔬 EPA CTX |
| Melting Point | -99.139 °C🔬 EPA CTX |
| Flash Point | 25.9 °C🔬 EPA CTX |
| Refractive Index | 1.404 Dimensionless📊 OPERA |
| Molar Volume | 147.942 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.47 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 | 0.016 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.001 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 8.627 mmHg🔬 EPA CTX |
| Viscosity | 0.747 cP📊 OPERA |
| Surface Tension | 24.698 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.688 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.
