Methyl Benzoate (CAS 93-58-3) — Sweet Top Note Fragrance Ingredient
Methyl Benzoate
CAS 93-58-3
What Is Methyl Benzoate?
Methyl benzoate is a sweet, fruity-floral fragrance compound found naturally in some essential oils like ylang-ylang and tuberose. You’ll encounter it in perfumes, soaps, and flavored products. This ester adds a bright, candied quality to fragrances, often described as a mix of wintergreen and tropical fruit. Its ability to bridge floral and fruity notes makes it a versatile perfumery material.
Safety Profile
GENERALLY SAFEWhat Does Methyl Benzoate Smell Like?
Methyl benzoate bursts with an initial wintergreen-like sharpness that quickly mellows into a radiant fruity-floral heart. Imagine crushed raspberries blended with tuberose petals, underscored by a faint medicinal edge reminiscent of cherry cough drops. The dry-down reveals a persistent sweetness akin to pineapple candy, with a subtle balsamic undertone that prevents it from becoming cloying. In dilution, it takes on a delicate, almost powdery character that works beautifully in floral bouquets.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used sparingly to enhance the candied ylang-ylang facets and add luminosity to the floral bouquet.
Contributes to the sparkling carnation accord, blending with clove and rose for a spicy-sweet effect.
Amplifies the natural methyl benzoate in jasmine absolute, creating a more pronounced fruity-floral dimension.
Works synergistically with ethyl maltol to create the signature ‘candyfloss’ effect in this gourmand classic.
Adds a bright fruity lift to the coffee-vanilla base, preventing the sweetness from becoming heavy.
2D Molecular Structure
SMILES: COC(=O)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl benzoate is a simple ester formed from benzoic acid and methanol. Naturally occurring in several flowers including tuberose and ylang-ylang, it’s commercially produced via Fischer esterification. The planar benzene ring allows for π-π stacking with olfactory receptors, while the ester group provides polarity. Its relatively low molecular weight (136.15 g/mol) contributes to moderate volatility. The compound lacks chiral centers, existing as a single stereoisomer. Industrial synthesis typically uses sulfuric acid as a catalyst, with careful control needed to prevent formation of dimethyl ether byproducts.
Physical & Chemical Properties
| Boiling Point | 199 °C |
|---|---|
| Melting Point | -12 °C |
| Flash Point | 83 °C |
| Density | 1.088 g/cm³ |
| Vapor Pressure | 0.3 mmHg at 25°C |
| Refractive Index | 1.516 |
| Solubility | 1.4 g/L in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds fruity-floral lift |
| Soaps/Detergents | 0.5-1% | Up to 2% | Provides stability in alkaline media |
| Flavorings | 10-50 ppm | Up to 100 ppm | Fruit flavors, chewing gum |
| Candles | 2-4% | Up to 6% | Good thermal stability |
Classic Accords
Tip: Use methyl benzoate to ‘sweeten’ harsh floral bases without adding syrupiness – it works particularly well with indolic jasmine.
Alternatives & Comparisons
Slightly heavier fruity character with better persistence. Use when more tenacity is needed in the dry-down.
Much less volatile, primarily used as a fixative rather than a top note. Has balsamic nuances.
For more pronounced wintergreen character. More polar due to hydroxyl group.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
Not restricted under any IFRA standards. Considered safe at current usage levels (IFRA 49th Amendment).
GHS Classification
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels. No evidence of phototoxicity or significant sensitization potential.
Sustainability
Most methyl benzoate is produced synthetically from petrochemical sources, though some is extracted as a byproduct of essential oil production. The synthesis route has relatively low environmental impact due to high atom economy in the esterification process. Biotechnological routes using engineered microbes are being explored for more sustainable production.
Explore Methyl Benzoate
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing. ASIN B0006BVLU6
- PubChem Compound Summary for Methyl Benzoate CID 7150
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Report a data errorIngredient Data Sheet
CAS 93-58-3Physical Properties
| Molecular Weight | 136.15 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.1🔬 PubChem |
| Boiling Point | 197.8 °C🔬 EPA CompTox |
| Vapor Pressure | 1 mmHg @ 25°C📊 OPERA |
| Flash Point | 82.8 °C🔬 EPA CompTox |
| Involatility Index | 0.0924💻 Calculated |
| log Kp (skin permeability) | -2.04💻 Calculated |
| SMILES | COC(=O)C1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralfruitysweet• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Pungent, heavy-sweet, deep-floral odor of moderate to poor tenacity. Its fruity undertones resemble Prunes and Blackcurrant, while the heavy floral tones recall notes of Tuberose or Longoza.”📖 Arctander | |
| Methyl benzoate has a fruity odor, similar to cananga.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Sweet, berry-like, somewhat spicy, slightly Nutmeg-like taste in dilutions below 20 ppm. Pungent at higher concentrations. The ester is also extensively used in flavor compositions for imitation Strawberry, Raspberry, Pineapple, Rum, Vanilla, and in fruit complexes, liqueur flavors, Nut flavors, etc”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.0872 ppm (n=3)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2683⚖️ 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: DTXSID5025572
Physical Properties
| Molecular Weight | 136.15 g/mol🔬 EPA CompTox |
| Density | 1.086 g/cm^3🔬 EPA CTX |
| Boiling Point | 198.87 °C🔬 EPA CTX |
| Melting Point | -10.904 °C🔬 EPA CTX |
| Flash Point | 81.782 °C🔬 EPA CTX |
| Refractive Index | 1.509 Dimensionless📊 OPERA |
| Molar Volume | 127.326 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.134 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.112 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.112 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.45 Log10 unitless📊 OPERA |
| Water Solubility | 0.014 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.432 mmHg🔬 EPA CTX |
| Viscosity | 1.971 cP📊 OPERA |
| Surface Tension | 35.631 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.482 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 | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 38.026 cm^3/mol📊 OPERA |
| Polarizability | 15.075 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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