Butyl acetate (CAS 123-86-4) — Sweet Top Note Fragrance Ingredient
Butyl acetate
CAS 123-86-4
What Is Butyl acetate?
Butyl acetate is a common synthetic solvent with a fruity, pear-like aroma. You’ll encounter it in nail polish removers, industrial coatings, and some food flavorings. This versatile ester adds bright, fresh top notes to fragrances while helping blend other ingredients smoothly.
Safety Profile
GENERALLY SAFEWhat Does Butyl acetate Smell Like?
Butyl acetate bursts with a crisp, effervescent character reminiscent of ripe Bartlett pears dipped in nail polish. The initial sharpness quickly settles into a sweet, slightly waxy fruitiness with subtle banana undertones. As it evaporates, it leaves behind a clean, almost metallic freshness that makes it invaluable for creating transparent fruity-floral effects. The dry-down is surprisingly neutral, allowing other notes to shine while preventing cloying sweetness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Provides the sparkling citrus-pear top note that defines this Mediterranean-inspired fragrance, enhancing the bergamot with juicy transparency.
Used sparingly to lift the floral bouquet, adding a dewy fruitiness that prevents the white flowers from becoming heavy.
Creates an airy, almost fizzy quality that mimics the effervescence of freshly brewed tea leaves.
2D Molecular Structure
SMILES: CCCCOC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Butyl acetate is a simple ester formed by the condensation of butanol and acetic acid. Industrially produced via Fischer esterification with sulfuric acid catalyst, it’s prized for its predictable behavior and low cost. The molecule’s compact structure (C6H12O2) gives it high volatility and excellent solvent properties. While achiral, its ester group provides polarity that influences both fragrance performance and solubility characteristics.
Physical & Chemical Properties
| Boiling Point | 126 °C |
|---|---|
| Flash Point | 22 °C |
| Density | 0.88 g/cm³ |
| Vapor Pressure | 15 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Adds lift to fruity compositions |
| Functional Products | 1-10% | Up to 20% | Common solvent in air fresheners |
Classic Accords
Tip: Use to ‘open up’ dense floral bases without adding significant sweetness.
Alternatives & Comparisons
More banana-like character with slightly better longevity.
Sharper, more solvent-like effect with faster evaporation.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions – widely used as solvent and fragrance ingredient.
GHS Classification
RIFM Assessment
RIFM considers butyl acetate safe for current fragrance use levels.
Sustainability
Produced from petrochemical feedstocks, but energy-efficient synthesis makes it relatively low-impact. Biodegradable under aerobic conditions. Some manufacturers are exploring bio-based routes using fermentation-derived butanol.
Explore Butyl acetate
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References
- PubChem Compound Summary for Butyl acetate PubChem CID 31272
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 123-86-4Physical Properties
| Molecular Weight | 116.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.8🔬 PubChem |
| Boiling Point | 126.5 °C🔬 EPA CompTox |
| Vapor Pressure | 10 mmHg @ 25°C📊 OPERA |
| Flash Point | 22.2 °C🔬 EPA CompTox |
| Involatility Index | 1💻 Calculated |
| log Kp (skin permeability) | -2.131💻 Calculated |
| SMILES | CCCCOC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | bananafruitypearpineapplesweet• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Very diffusive, etheral-fruity, pungent odor, reminiscent of many kinds of (ripe and over-ripe) fruit. Very poor tenacity. The odor is often described as resembling that of Pear, Banana, Strawberry, etc. but it may be closer to Pear than to any other single fruit.”📖 Arctander | |
| Butyl acetate has a strong, fruity odor; burning and then sweet taste reminiscent of pineapple.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Sweet-fruit taste in aqueous solution. Used extensively in flavor compositions for imitation Apricot, Banana, Butter, Peach, Pear, Pineapple, Raspberry, Strawberry, etc.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.7526 ppm (n=40)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2174⚖️ 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: DTXSID3021982
Physical Properties
| Molecular Weight | 116.16 g/mol🔬 EPA CompTox |
| Density | 0.88 g/cm^3🔬 EPA CTX |
| Boiling Point | 126.047 °C🔬 EPA CTX |
| Melting Point | -71.584 °C🔬 EPA CTX |
| Flash Point | 23.879 °C🔬 EPA CTX |
| Refractive Index | 1.398 Dimensionless📊 OPERA |
| Molar Volume | 131.058 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 11.256 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.812 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.812 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.65 Log10 unitless🔬 EPA CTX |
| Water Solubility | 0.06 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 10.737 mmHg🔬 EPA CTX |
| Viscosity | 0.69 cP📊 OPERA |
| Surface Tension | 25.397 dyn/cm📊 OPERA |
| Thermal Conductivity | 137.11 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 | 31.621 cm^3/mol📊 OPERA |
| Polarizability | 12.536 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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