Amyl formate (CAS 638-49-3) — Sweet Top Note Fragrance Ingredient
Amyl formate
CAS 638-49-3
What Is Amyl formate?
Amyl formate is a fruity-smelling synthetic ester commonly used in food flavorings and some perfumes. It mimics the scent of ripe apples and bananas. While not a major fragrance ingredient, it adds bright, juicy top notes when used skillfully in compositions.
Safety Profile
GENERALLY SAFEWhat Does Amyl formate Smell Like?
Amyl formate bursts with a vibrant, effervescent fruitiness reminiscent of freshly peeled apples with a hint of overripe banana. The initial impression is intensely sweet and slightly alcoholic, like apple cider. As it evolves, a cleaner pear-like character emerges before drying down to a faintly waxy, almost rubbery nuance. The volatility makes it a classic top note that disappears within 30 minutes but leaves a juicy impression.
2D Molecular Structure
SMILES: CCCCCOC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Amyl formate (pentyl formate) is an ester formed from formic acid and amyl alcohol. Industrially produced via Fischer esterification, this simple molecule lacks chirality but shows remarkable olfactory potency due to its small size and polar ester group. While rare in nature, trace amounts occur in some fruits. Modern synthesis typically uses acid-catalyzed reactions between pentanol and formic acid derivatives.
Physical & Chemical Properties
| Boiling Point | 130-132 °C |
|---|---|
| Flash Point | 27 °C (closed cup) |
| Density | 0.885 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Food Flavoring | 0.1-1% | Up to 5% | Artificial fruit flavors |
| Functional Fragrance | 0.5-2% | Up to 3% | Cleaning product fresheners |
Classic Accords
Tip: Use sparingly in top notes – over 3% can create unpleasant rubbery undertones.
Alternatives & Comparisons
Stronger banana note, more stable in formulations. Preferred when longer-lasting fruity effects are needed.
Lighter, more ethereal fruity character with rum-like nuances. Lower boiling point for fleeting effects.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Listed in IFRA Transparency List as unrestricted.
GHS Classification
RIFM Assessment
RIFM assessment confirms safe use at current levels in fragrances.
Sustainability
Synthetically produced from petrochemical feedstocks. No known ecological concerns at current usage scales, but lacks biodegradability data. Some potential for green chemistry routes using bio-based amyl alcohols.
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References
- PubChem Compound Summary for Amyl formate PubChem CID
- Fenaroli’s Handbook of Flavor Ingredients (6th Ed)
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 638-49-3Physical Properties
| Molecular Weight | 116.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.9🔬 PubChem |
| Boiling Point | 130 °C🔬 EPA CompTox |
| Flash Point | 26.1 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.06💻 Calculated |
| SMILES | CCCCCOC=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | freshfruitygreensweet• leffingwell |
| Functional Groups | ether💻 RDKit |
| “Powerful ethereal-vinous, somewhat dry-earthly, yet fruity odor with earthy-green undertones.”📖 Arctander | |
| Amyl formate has a fruit-like aroma.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Very slightly soluble in water. Miscible with alcohol, perfume and flavor materials. Sweet-fruity, vinous and fresh taste. Finds use in flavor compositions for imitation Apple, Apricot, Banana, Cherry, Black-currant, Nut, Rum, Peach, Plum, Strawberry, Walnut flavors, etc.”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2068⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID2047698
Physical Properties
| Molecular Weight | 116.16 g/mol🔬 EPA CompTox |
| Density | 0.9 g/cm^3🔬 EPA CTX |
| Boiling Point | 129.733 °C🔬 EPA CTX |
| Melting Point | -73.429 °C🔬 EPA CTX |
| Flash Point | 31.99 °C🔬 EPA CTX |
| Refractive Index | 1.399 Dimensionless📊 OPERA |
| Molar Volume | 131.257 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.786 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.98 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.98 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.66 Log10 unitless📊 OPERA |
| Water Solubility | 0.029 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.001 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 8.666 mmHg📊 OPERA |
| Viscosity | 0.836 cP📊 OPERA |
| Surface Tension | 26.43 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.862 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 | 31.778 cm^3/mol📊 OPERA |
| Polarizability | 12.598 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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