2-Methylbutyl acetate (CAS 624-41-9) — Sweet Top Note Fragrance Ingredient
2-Methylbutyl acetate
CAS 624-41-9
What Is 2-Methylbutyl acetate?
2-Methylbutyl acetate is a fruity-smelling synthetic compound used in perfumes and food flavorings. You’ll encounter it in banana-flavored candies and tropical fruit fragrances. This ingredient matters because it adds authentic, juicy fruitiness to compositions without relying on natural extracts, making fragrances more consistent and affordable.
Safety Profile
GENERALLY SAFEWhat Does 2-Methylbutyl acetate Smell Like?
A burst of overripe banana peel with hints of pear drops and bubblegum sweetness dominates the opening. As it evolves, the fruity character softens into a candied apple note with a faint rum-like undertone. The dry-down reveals a clean, slightly waxy finish reminiscent of fruit-flavored lip balm, leaving a subtle tropical aura that blends well with other fruity and floral materials.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the cocktail-like tropical fruit accord, blending with coconut and lime to create a piña colada effect.
Provides a subtle fruity lift to the citrus-amber accord, enhancing the solar quality without overpowering.
2D Molecular Structure
SMILES: CCC(C)COC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Methylbutyl acetate is an ester formed from 2-methylbutanol and acetic acid. Industrially produced via acid-catalyzed esterification, it’s a chiral molecule with the (S)-enantiomer being more common in nature. The branched carbon chain gives it greater stability against hydrolysis compared to straight-chain acetates. Its fruity character comes from the specific spatial arrangement that optimally fits olfactory receptors for banana-like perceptions.
Physical & Chemical Properties
| Boiling Point | 142-143 °C |
|---|---|
| Density | 0.876 g/cm³ |
| Refractive Index | 1.400-1.402 |
| Flash Point | 40 °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% | Banana-type air fresheners |
Classic Accords
Tip: Use in trace amounts with vanilla to create banana pudding effects without cloying sweetness.
Alternatives & Comparisons
More straightforward banana note without the rummy depth, better for candy-type applications.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Listed as safe under all categories.
RIFM Assessment
Evaluated as safe by RIFM with wide margins of safety in current use levels.
Sustainability
Synthesized from petrochemical feedstocks but requires minimal energy input. More sustainable than natural banana extracts which require extensive agricultural land. Biodegradable ester structure poses low environmental risk.
Explore 2-Methylbutyl acetate
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 624-41-9Physical Properties
| Molecular Weight | 130.18 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.1🔬 PubChem |
| Boiling Point | 138 °C🔬 EPA CompTox |
| Vapor Pressure | 6.34 mmHg @ 25°C📊 OPERA |
| Flash Point | 35 °C🔬 EPA CompTox |
| Involatility Index | 0.5989💻 Calculated |
| log Kp (skin permeability) | -2.003💻 Calculated |
| SMILES | CCC(C)COC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | applebananaetherealfruity• leffingwell |
| Functional Groups | esterether💻 RDKit |
| 2-Methylbutyl acetate has an apple peel and banana odor.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 0.0479 ppm (n=3)📖 van Gemert |
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: DTXSID2027254
Physical Properties
| Molecular Weight | 130.187 g/mol🔬 EPA CompTox |
| Density | 0.875 g/cm^3🔬 EPA CTX |
| Boiling Point | 139 °C🔬 EPA CTX |
| Melting Point | -78.504 °C📊 OPERA |
| Flash Point | 35.075 °C🔬 EPA CTX |
| Refractive Index | 1.404 Dimensionless📊 OPERA |
| Molar Volume | 147.942 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.29 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.148 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.148 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.89 Log10 unitless📊 OPERA |
| Water Solubility | 0.024 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 6.34 mmHg🔬 EPA CTX |
| Viscosity | 0.788 cP📊 OPERA |
| Surface Tension | 25.068 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.798 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.
