2-Methylbutyl butyrate (CAS 51115-64-1) — Sweet Top Note Fragrance Ingredient
2-Methylbutyl butyrate
CAS 51115-64-1
What Is 2-Methylbutyl butyrate?
2-Methylbutyl butyrate is a synthetic ester used in fruity flavorings and fragrances. Consumers encounter it in candies, baked goods, and tropical-scented personal care products. This ingredient matters because it provides a realistic banana-pineapple top note that enhances both taste and smell experiences, making it valuable for creating authentic tropical fruit impressions.
Safety Profile
GENERALLY SAFEWhat Does 2-Methylbutyl butyrate Smell Like?
A burst of overripe banana peel mingled with fresh pineapple juice, transitioning to a creamy tropical smoothie heart. The dry-down reveals subtle coconut undertones with a waxy, slightly green finish reminiscent of fruit stems. Becomes sweeter with air exposure, like caramelizing bananas in a buttered pan.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used for its photorealistic banana note that blends with lime and coconut to create a tropical cocktail effect.
Provides the sun-warmed fruit basket accent to this solar white floral composition.
2D Molecular Structure
SMILES: CCCC(=O)OCC(C)CC
Chemistry, Properties & Perfumer Guide
The Chemistry
An ester formed from butyric acid and 2-methylbutanol. Synthesized via acid-catalyzed esterification. The branched chain structure enhances fruity character while reducing volatility compared to straight-chain esters. Used extensively in both flavor and fragrance industries due to its stability and intense fruity profile.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 0.865 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Food Flavors | 0.1-1% | Up to 5% | Banana/candy formulations |
| Tropical Fragrances | 0.5-3% | Up to 8% | Fruity top notes |
Classic Accords
Tip: Use with ethyl maltol to enhance candy-like fruit effects.
Alternatives & Comparisons
More volatile with sharper banana note, better for immediate impact in top notes.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
Synthesized from petrochemical feedstocks. More sustainable than natural extraction from scarce tropical fruits. Biodegradable ester structure minimizes environmental persistence.
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References
- Fenaroli’s Handbook of Flavor Ingredients (6th Ed) ISBN 1439848333
- PubChem Compound Summary CID 79070 PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 51115-64-1Physical Properties
| Molecular Weight | 158.24 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.6🔬 PubChem |
| Boiling Point | 179 °C🔬 EPA CompTox |
| Vapor Pressure | 0.912 mmHg @ 25°C📊 OPERA |
| Flash Point | 59.4 °C🔬 EPA CompTox |
| Involatility Index | 0.0781💻 Calculated |
| log Kp (skin permeability) | -1.819💻 Calculated |
| SMILES | CCCC(=O)OCC(C)CC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruity• leffingwell |
| Functional Groups | esterether💻 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: DTXSID80866181
Physical Properties
| Molecular Weight | 158.241 g/mol🔬 EPA CompTox |
| Density | 0.874 g/cm^3📊 OPERA |
| Boiling Point | 177.617 °C📊 OPERA |
| Melting Point | -69.721 °C📊 OPERA |
| Flash Point | 59.027 °C📊 OPERA |
| Refractive Index | 1.417 Dimensionless📊 OPERA |
| Molar Volume | 180.955 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.072 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.072 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.072 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.43 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.084 mmHg📊 OPERA |
| Viscosity | 1.116 cP📊 OPERA |
| Surface Tension | 25.718 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.873 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 | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 45.478 cm^3/mol📊 OPERA |
| Polarizability | 18.029 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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