Butyl 2-methylvalerate (CAS 6297-41-2) — Sweet Top Note Fragrance Ingredient
Butyl 2-methylvalerate
CAS 6297-41-2
What Is Butyl 2-methylvalerate?
Butyl 2-methylvalerate is a synthetic ester used in perfumery for its fruity, apple-like aroma. You’ll encounter it in fragrances, body care products, and sometimes food flavorings. This ingredient matters because it adds crisp, fresh fruit notes without being overpowering, helping create balanced compositions with natural appeal.
Safety Profile
GENERALLY SAFEWhat Does Butyl 2-methylvalerate Smell Like?
Butyl 2-methylvalerate bursts with a crisp, green apple peel aroma—juicy and slightly tart, like biting into a freshly picked Granny Smith. The top note has a sparkling aldehydic quality that quickly settles into a heart reminiscent of apple cider with a hint of pear skin. As it dries down, it reveals a subtle woody undertone, like apple crates in an orchard shed. The overall effect is clean and refreshing, with moderate tenacity that makes it excellent for fruity-floral compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as the primary apple accord, blended with cis-3-hexenol for a dewy orchard effect. Provides the crisp bite that defines this summer fragrance.
Combined with pear ester and violet leaf for a fruity-green opening. The butyl 2-methylvalerate adds authenticity to the apple core accord.
2D Molecular Structure
SMILES: CCCCOC(=O)C(C)CCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Butyl 2-methylvalerate is an ester formed from butanol and 2-methylvaleric acid. As a synthetic material, it’s typically produced via acid-catalyzed esterification. The branched carbon chain contributes to its distinctive fruity character while increasing stability compared to straight-chain esters. Its molecular structure allows for good volatility as a top note while maintaining sufficient persistence in the heart phase.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Odor Threshold | Low ppm range |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fruity top note component |
| Body Care | 0.1-1% | Up to 3% | Fresh fruit accents |
Classic Accords
Tip: Use with bergamot and hedione to create sparkling fruity-floral openings.
Alternatives & Comparisons
Similar fruity character but with more tropical notes. Better for pear and passionfruit accords.
Stronger apple character with longer persistence. Use 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 currently apply.
RIFM Assessment
Considered safe for current usage levels based on RIFM data.
Sustainability
As a synthetic material, butyl 2-methylvalerate offers consistent quality without agricultural impacts. Production typically uses petrochemical feedstocks, though bio-based routes are being explored. Its efficiency means lower usage rates compared to some natural extracts.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID70863740
Physical Properties
| Molecular Weight | 172.268 g/mol🔬 EPA CompTox |
| Density | 0.872 g/cm^3📊 OPERA |
| Boiling Point | 195.423 °C📊 OPERA |
| Melting Point | -66.606 °C📊 OPERA |
| Flash Point | 68.708 °C📊 OPERA |
| Refractive Index | 1.421 Dimensionless📊 OPERA |
| Molar Volume | 197.462 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.686 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.686 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.686 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.97 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.537 mmHg📊 OPERA |
| Viscosity | 1.258 cP📊 OPERA |
| Surface Tension | 26.106 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.345 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 | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 50.111 cm^3/mol📊 OPERA |
| Polarizability | 19.866 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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