Butyl formate (CAS 592-84-7) — Citrus Top Note Fragrance Ingredient
Butyl formate
CAS 592-84-7
What Is Butyl formate?
Butyl formate is a synthetic ester commonly used in fruit flavorings and fragrances. It imparts a sharp, fruity aroma reminiscent of raspberries and rum. This ingredient matters because it adds a fresh, top-note quality to fragrances and is widely used in both fine fragrances and functional products like soaps and detergents.
Safety Profile
GENERALLY SAFEWhat Does Butyl formate Smell Like?
Butyl formate bursts with a sharp, fruity top note that evokes freshly crushed raspberries and a hint of rum. The initial intensity quickly mellows into a sweet, ethereal heart with a slightly green undertone. The dry-down is clean and slightly woody, leaving a faint, pleasant sweetness that lingers subtly.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Butyl formate is used here to create a vibrant, fruity top note that mimics the freshness of just-picked raspberries, adding a juicy, mouthwatering quality to the fragrance.
2D Molecular Structure
SMILES: CCCCOC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Butyl formate is an ester formed from butanol and formic acid. It is typically synthesized via esterification in the presence of an acid catalyst. The compound is a clear, colorless liquid with a fruity odor, commonly used in flavorings and fragrances due to its volatile nature and pleasant aroma.
Physical & Chemical Properties
| Boiling Point | 106-107 °C |
|---|---|
| Density | 0.89 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds fresh fruity top notes |
| Functional Fragrances | 0.5-2% | Up to 5% | Used in soaps and detergents |
Classic Accords
Tip: Use in small amounts to avoid overpowering the blend.
Alternatives & Comparisons
A lighter, more volatile alternative with a similar fruity profile but less longevity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards.
GHS Classification
RIFM Assessment
RIFM has assessed butyl formate as safe for use in current practices.
Sustainability
Butyl formate is synthetically produced, reducing the need for natural resources. Its production is efficient with minimal environmental impact when handled properly.
Explore Butyl formate
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References
- PubChem: Butyl formate PubChem CID 11615
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 592-84-7Physical Properties
| Molecular Weight | 102.13 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.4🔬 PubChem |
| Boiling Point | 107 °C🔬 EPA CompTox |
| Vapor Pressure | 28.9 mmHg @ 25°C📊 OPERA |
| Flash Point | 17.8 °C🔬 EPA CompTox |
| Involatility Index | 3.0821💻 Calculated |
| log Kp (skin permeability) | -2.329💻 Calculated |
| SMILES | CCCCOC=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Very fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | etherealplumrum• leffingwell |
| Functional Groups | ether💻 RDKit |
| “Very diffusive, ethereal, Rum-like odor. Volatile (very poor tenacity).”📖 Arctander | |
| Butyl formate has a fruity, plum-like odor and corresponding taste.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Sweet, Rum-Brandy-like taste in water. green-floral perfume bases. Used in flavor compositions for imitation Fruit (Tutti-frutti), Rum, Plum, Liquor and other flavors.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 2.1909 ppm (n=2)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2196⚖️ 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: DTXSID2060468
Physical Properties
| Molecular Weight | 102.133 g/mol🔬 EPA CompTox |
| Density | 0.9 g/cm^3🔬 EPA CTX |
| Boiling Point | 106.44 °C🔬 EPA CTX |
| Melting Point | -91.364 °C🔬 EPA CTX |
| Flash Point | 17.986 °C🔬 EPA CTX |
| Refractive Index | 1.389 Dimensionless📊 OPERA |
| Molar Volume | 114.75 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.32 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.195 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.195 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.26 Log10 unitless📊 OPERA |
| Water Solubility | 0.069 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 27.183 mmHg🔬 EPA CTX |
| Viscosity | 0.651 cP📊 OPERA |
| Surface Tension | 25.616 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.854 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 | 0 count💻 Computed |
| Molar Refractivity | 27.145 cm^3/mol📊 OPERA |
| Polarizability | 10.761 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.
