Methyl valerate (CAS 624-24-8) — Sweet Top Note Fragrance Ingredient
Methyl valerate
CAS 624-24-8
What Is Methyl valerate?
Methyl valerate is a fruity ester commonly used in food flavorings and perfumes. You’ll encounter it in apple-flavored candies, tropical fruit beverages, and some fresh, fruity fragrances. This ingredient matters because it adds authentic, juicy fruit notes without being overpowering. It’s a workhorse molecule that helps create realistic fruit accords in both edible and fine fragrance applications.
Safety Profile
GENERALLY SAFEWhat Does Methyl valerate Smell Like?
Methyl valerate bursts with a crisp, green apple peel aroma that evolves into sweeter tropical fruit nuances – think pineapple core and ripe banana. The top note is sharply fruity with a slightly fermented edge, softening within minutes to a rounder, jammy character. Dry-down reveals faint floral undertones and a clean, almost soapy finish. Unlike heavier fruit esters, it maintains excellent diffusion without becoming cloying, making it ideal for fresh top notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as the primary apple note, methyl valerate creates the photorealistic green apple peel effect that defines this fragrance. Its volatility ensures the scent remains bright and diffusive.
Here it modifies the pineapple heart, adding juicy depth and preventing the tropical accord from becoming too sweet or candied.
2D Molecular Structure
SMILES: CCCCC(=O)OC
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl valerate is a simple ester formed from methanol and valeric acid. Industrially produced via acid-catalyzed esterification, it’s a staple in both flavor and fragrance chemistry. The molecule lacks chirality, making synthesis straightforward. Its compact structure (C6H12O2) contributes to high volatility and excellent diffusion properties. While naturally occurring in some fruits, commercial production is entirely synthetic due to cost efficiency and purity requirements.
Physical & Chemical Properties
| Boiling Point | 127-128 °C |
|---|---|
| Density | 0.89 g/cm³ |
| Refractive Index | 1.396 |
| Flash Point | 27 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fruity top note enhancer |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Apple/fruit shampoo notes |
Classic Accords
Tip: Use in trace amounts with citrus top notes to create photorealistic fruit effects without sweetness overload.
Alternatives & Comparisons
More intense, sweeter fruit character with longer persistence. Better for heart notes when more tenacity is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions
GHS Classification
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
As a synthetic material, methyl valerate production has minimal environmental impact. The esterification process is atom-efficient with water as the only byproduct. Being petroleum-derived, its carbon footprint is offset by extremely low usage requirements (typically <1% in formulations).
Explore Methyl valerate
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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 errorPhysicochemical Properties
DTXSID: DTXSID9060784
Physical Properties
| Molecular Weight | 116.16 g/mol🔬 EPA CompTox |
| Density | 0.891 g/cm^3🔬 EPA CTX |
| Boiling Point | 125.65 °C🔬 EPA CTX |
| Melting Point | -74.386 °C🔬 EPA CTX |
| Flash Point | 24.06 °C🔬 EPA CTX |
| Refractive Index | 1.398 Dimensionless📊 OPERA |
| Molar Volume | 131.058 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.989 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.902 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.902 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.61 Log10 unitless📊 OPERA |
| Water Solubility | 0.044 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 17.674 mmHg🔬 EPA CTX |
| Viscosity | 0.657 cP📊 OPERA |
| Surface Tension | 25.347 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.213 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 | 31.621 cm^3/mol📊 OPERA |
| Polarizability | 12.536 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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