Propyl acetate (CAS 109-60-4) — Citrus Top Note Fragrance Ingredient
Propyl acetate
CAS 109-60-4
What Is Propyl acetate?
Propyl acetate is a common synthetic ester used as a solvent and fragrance ingredient. It has a fruity, pear-like scent and is found in nail polish removers, coatings, and some perfumes. This versatile compound matters because it provides cost-effective fruity notes while being biodegradable and low in toxicity compared to many alternatives.
Safety Profile
GENERALLY SAFEWhat Does Propyl acetate Smell Like?
Propyl acetate delivers an immediate, bright burst reminiscent of ripe pears soaking in rubbing alcohol – that initial medicinal sharpness quickly giving way to a sweeter, more rounded fruitiness. The scent remains linear throughout its duration, without significant evolution, like biting into an overripe Bartlett pear where the sweetness borders on fermentation. Dry-down reveals faint solvent-like undertones that keep it from becoming cloying.
2D Molecular Structure
SMILES: CCCOC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Propyl acetate is an ester formed by the condensation of acetic acid and propanol. Industrially produced via Fischer esterification with acid catalysts, this simple molecule exemplifies how small structural changes (the propyl group) create distinct odor profiles from related acetates. Its volatility and polarity make it particularly useful in solvent applications where a fruity odor is acceptable.
Physical & Chemical Properties
| Boiling Point | 102 °C |
|---|---|
| Flash Point | 14 °C |
| Density | 0.887 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Solvents | 10-30% | Up to 100% | Primary solvent component |
| Fragrance | 1-3% | Up to 5% | Fruity top note |
Classic Accords
Tip: Use in small quantities to brighten fruity top notes without overwhelming.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA
GHS Classification
RIFM Assessment
RIFM has conducted safety assessments confirming safe use at current levels.
Sustainability
Propyl acetate is synthesized from petrochemical feedstocks but has relatively low environmental impact due to ready biodegradability. Some bio-based production routes exist using fermentation-derived alcohols. Its efficient production and low use concentrations in fragrances make it a sustainable choice for functional fruity notes.
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References
- PubChem Compound Summary for Propyl acetate Link
- FEMA GRAS Assessment
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 109-60-4Physical Properties
| Molecular Weight | 102.13 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.2🔬 PubChem |
| Boiling Point | 101.6 °C🔬 EPA CompTox |
| Vapor Pressure | 67.21 mmHg @ 25°C📊 OPERA |
| Flash Point | 14.4 °C🔬 EPA CompTox |
| Involatility Index | 7.1678💻 Calculated |
| log Kp (skin permeability) | -2.471💻 Calculated |
| SMILES | CCCOC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Very fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | alcoholicetherealfruitypearsolvent• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Diffusive and fresh, ethereal-fruity, Pear-like odor of poor tenacity.”📖 Arctander | |
| Propyl acetate has a fruity (pear–raspberry) odor with a pleasant, bittersweet flavor reminiscent of pear on dilution.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Sweet Raspberry-Pear-like taste in concentrations near 20 ppm. The ester is widely used in flavor compositions as a major (by volume, not by flavor power) part of Strawberry, Raspberry, Black- currant, Apple, Pear, Cherry, Peach, Pine-apple, Melon, Cucumber, Rum, etc. and in "Tutti-frutti" type to s”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 40.3762 ppm (n=6)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2925⚖️ 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: DTXSID6021901
Physical Properties
| Molecular Weight | 102.133 g/mol🔬 EPA CompTox |
| Density | 0.879 g/cm^3🔬 EPA CTX |
| Boiling Point | 101.611 °C🔬 EPA CTX |
| Melting Point | -87.733 °C🔬 EPA CTX |
| Flash Point | 13.088 °C🔬 EPA CTX |
| Refractive Index | 1.387 Dimensionless📊 OPERA |
| Molar Volume | 114.551 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.501 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.31 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.31 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.17 Log10 unitless🔬 EPA CTX |
| Water Solubility | 0.19 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 33.852 mmHg🔬 EPA CTX |
| Viscosity | 0.554 cP📊 OPERA |
| Surface Tension | 24.529 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.748 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 26.988 cm^3/mol📊 OPERA |
| Polarizability | 10.699 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.
