Methyl acetate (CAS 79-20-9) — Citrus Top Note Fragrance Ingredient
Methyl acetate
CAS 79-20-9
What Is Methyl acetate?
Methyl acetate is a synthetic ester commonly used as a solvent in nail polish removers and industrial applications. It’s also found in some fragrances as a fruity top note. This ingredient matters because it provides a cost-effective alternative to natural fruit esters while offering excellent volatility for quick-dispersing fragrance effects.
Safety Profile
GENERALLY SAFEWhat Does Methyl acetate Smell Like?
Methyl acetate bursts with a sharp, fruity character reminiscent of pear drops and nail polish remover. The initial punch quickly evolves into a cleaner, slightly sweet aroma with hints of apple peel. As it dissipates, it leaves behind a faintly alcoholic, solvent-like trace that blends well with citrus and green notes. Its fleeting nature makes it ideal for creating momentary olfactory illusions in top notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a crisp, fruity top note enhancer that complements the citrus accord and adds momentary brightness before the heart notes emerge.
Provides a clean, slightly alcoholic freshness that bridges between the citrus opening and green tea heart notes.
2D Molecular Structure
SMILES: COC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl acetate is the simplest fatty acid methyl ester, formed by esterification of methanol and acetic acid. Industrially produced via acid-catalyzed reactions, it’s widely used as a low-toxicity solvent. The molecule lacks chiral centers, making it optically inactive. Its volatility stems from the small molecular size and ester functional group that doesn’t form strong intermolecular bonds.
Physical & Chemical Properties
| Boiling Point | 57 °C |
|---|---|
| Flash Point | -10 °C |
| Density | 0.93 g/cm³ |
| Vapor Pressure | 190 mmHg at 20°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fruity top note enhancer |
| Functional Fragrance | 1-3% | Up to 8% | Solvent and freshness booster |
Classic Accords
Tip: Use in minute quantities to avoid overwhelming solvent character in fine fragrances.
Alternatives & Comparisons
Similar fruity profile but slightly sweeter and longer-lasting. Preferred when more tenacity is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions – unlimited use permitted under current standards.
GHS Classification
RIFM Assessment
RIFM evaluation confirms safe use at current exposure levels in fragrances.
Sustainability
Produced from petrochemical feedstocks but considered environmentally preferable to chlorinated solvents. Biodegradable under aerobic conditions with half-life <5 days in water. Some green chemistry initiatives explore bio-based production routes.
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References
- PubChem Compound Summary for Methyl acetate CID 6584
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 79-20-9Physical Properties
| Molecular Weight | 74.08 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 0.2🔬 PubChem |
| Boiling Point | 56.9 °C🔬 EPA CompTox |
| Vapor Pressure | 170 mmHg @ 25°C📊 OPERA |
| Flash Point | -10 °C🔬 EPA CompTox |
| Involatility Index | 21.2876💻 Calculated |
| log Kp (skin permeability) | -3.01💻 Calculated |
| SMILES | CC(=O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Very fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | etherealfruitysweet• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Sweet, and extremely diffusive, ethereal-fruity odor of very poor tenacity. In fact, one must hurry to smell it from a perfume blotter before it is completely evaporated.”📖 Arctander | |
| Methyl acetate has a pleasant, fruity odor and slightly bitter flavor.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Methylacetate is used in flavor compositions, mainly in Arak, Brandy, Rum, Whisky, fruit and Nut complexes, Raspberry imitation, etc. The concentration is normally about 0.1 up to 30 ppm in the finished product.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 3.1157 ppm (n=8)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2676⚖️ 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: DTXSID4021767
Physical Properties
| Molecular Weight | 74.079 g/mol🔬 EPA CompTox |
| Density | 0.93 g/cm^3🔬 EPA CTX |
| Boiling Point | 57.029 °C🔬 EPA CTX |
| Melting Point | -90.397 °C🔬 EPA CTX |
| Flash Point | -10.828 °C🔬 EPA CTX |
| Refractive Index | 1.354 Dimensionless📊 OPERA |
| Molar Volume | 81.538 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.295 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.335 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.335 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 2.31 Log10 unitless🔬 EPA CTX |
| Water Solubility | 2.728 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 197.4 mmHg🔬 EPA CTX |
| Viscosity | 0.405 cP📊 OPERA |
| Surface Tension | 22.584 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.63 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 | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 17.722 cm^3/mol📊 OPERA |
| Polarizability | 7.026 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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