Benzyl 2-methylbutyrate (CAS 56423-40-6) — Sweet Middle Note Fragrance Ingredient
Benzyl 2-methylbutyrate
CAS 56423-40-6
What Is Benzyl 2-methylbutyrate?
Benzyl 2-methylbutyrate is a synthetic fragrance ingredient commonly found in fruity and floral perfumes. It adds a sweet, berry-like nuance to compositions. This ester is valued for its ability to enhance fruity accords while providing moderate longevity in fragrance blends.
Safety Profile
GENERALLY SAFEWhat Does Benzyl 2-methylbutyrate Smell Like?
Benzyl 2-methylbutyrate opens with a burst of ripe strawberries and juicy blackberries, reminiscent of summer fruit stands. The heart reveals a subtle floral undertone, like petals dipped in jam, while the dry-down settles into a warm, slightly woody sweetness. Its character evolves from bright and playful to softly comforting, making it versatile for both youthful and sophisticated compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the coffee-berry accord, adding a luscious fruitiness that contrasts with the dark roasted notes.
Contributes to the candied iris effect, bridging the gap between floral and gourmand elements.
2D Molecular Structure
SMILES: CCC(C)C(=O)OCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Benzyl 2-methylbutyrate is an ester formed from benzyl alcohol and 2-methylbutyric acid. It’s typically synthesized through Fischer esterification under acidic conditions. The branched structure of the 2-methylbutyrate moiety contributes to its distinctive fruity character. As a synthetic material, it offers consistent quality and avoids the variability of natural extracts.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Strength | Medium |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fruity modifier |
| Body Care | 0.1-0.5% | Up to 1% | Berry accords |
Classic Accords
Tip: Combine with ionones to create sophisticated fruit-floral hybrids.
Alternatives & Comparisons
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 use in current applications based on RIFM data.
Sustainability
As a synthetic material, benzyl 2-methylbutyrate avoids agricultural land use. Production typically uses petrochemical feedstocks, though bio-based routes are being explored. Consistent quality reduces batch-to-batch variation and waste.
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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 errorIngredient Data Sheet
CAS 56423-40-6Physical Properties
| Molecular Weight | 192.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 245 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0372 mmHg @ 25°C📊 OPERA |
| Flash Point | 98.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0029💻 Calculated |
| log Kp (skin permeability) | -1.743💻 Calculated |
| SMILES | CCC(C)C(=O)OCC1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.7 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | applefruitytropical• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
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: DTXSID3052226
Physical Properties
| Molecular Weight | 192.258 g/mol🔬 EPA CompTox |
| Density | 0.997 g/cm^3📊 OPERA |
| Boiling Point | 248.636 °C📊 OPERA |
| Melting Point | 4.137 °C📊 OPERA |
| Flash Point | 99.438 °C📊 OPERA |
| Refractive Index | 1.495 Dimensionless📊 OPERA |
| Molar Volume | 192.137 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.395 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.395 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.395 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.83 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.024 mmHg📊 OPERA |
| Viscosity | 4.011 cP📊 OPERA |
| Surface Tension | 33.675 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.882 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 | 1 count💻 Computed |
| Molar Refractivity | 56.067 cm^3/mol📊 OPERA |
| Polarizability | 22.227 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.
