Ethyl benzoylacetate (CAS 94-02-0) — Sweet Middle Note Fragrance Ingredient
Ethyl benzoylacetate
CAS 94-02-0
What Is Ethyl benzoylacetate?
Ethyl benzoylacetate is a synthetic fragrance ingredient with a fruity, floral character. You’ll encounter it in perfumes, soaps, and cosmetic products where it contributes to berry-like accords. This ester matters because it’s a versatile building block that perfumers use to create both natural-smelling fruit notes and abstract floral effects in modern fragrances.
Safety Profile
GENERALLY SAFEWhat Does Ethyl benzoylacetate Smell Like?
Ethyl benzoylacetate unfolds with an initial burst of jammy strawberry sweetness, reminiscent of sun-warmed berries dripping with nectar. This fruity intensity gradually softens into a floral heart with hints of peony and a subtle powdery nuance. The dry-down reveals a delicate vanillic warmth with a clean, slightly woody finish. Its evolution is linear yet sophisticated, maintaining a candied fruit character throughout while avoiding cloying sweetness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as the primary strawberry note, creating an ultra-realistic berry effect that avoids artificial candy associations through its natural floral undertones.
Provides subtle fruity facets that complement the patchouli base, adding dimension to the gourmand accord without overpowering.
2D Molecular Structure
SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl benzoylacetate belongs to the β-keto ester family, synthesized through Claisen condensation of ethyl acetate with benzoyl chloride. This versatile intermediate participates in various organic reactions. While not found in nature, its structural motifs resemble those in some fruit-derived esters. The keto-enol tautomerism influences its olfactory profile, with the enol form contributing to its characteristic fruity notes.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~250 °C (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fruity-floral modifier |
| Soap | 0.1-0.5% | Up to 1% | Berry note stabilizer |
Classic Accords
Tip: Use with citrus top notes to create sparkling fruit cocktails that transition smoothly into floral hearts.
Alternatives & Comparisons
For stronger caramelized fruit effects, though lacks the floral dimension of ethyl benzoylacetate.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards.
RIFM Assessment
Considered safe at current usage levels based on structural analogs.
Sustainability
As a synthetic material, ethyl benzoylacetate offers consistent quality without natural sourcing constraints. Production typically uses petrochemical feedstocks, though green chemistry approaches could potentially utilize bio-based ethanol in the future.
Explore Ethyl benzoylacetate
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 94-02-0Physical Properties
| Molecular Weight | 192.21 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.9🔬 PubChem |
| Boiling Point | 265 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0004 mmHg @ 25°C📊 OPERA |
| Flash Point | 113.1 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.523💻 Calculated |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.4 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | cherryfruity• leffingwell |
| Functional Groups | ketoneesteretheraromatic💻 RDKit |
| “Peculiar Brandy-like odor of surprising tenacity (surprising mostly because one does not expect an aromatic-ethereal odor to be so lasting).”📖 Arctander | |
| Ethyl benzoylacetate has a brandy-like odor and bitter, whiskey-like taste.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Slightly bitter taste, reminiscent of Whisky or fermented fruit. Finds some use in flavor compositions for imitation Whisky, and in various fruit complexes.”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2433⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| IOFI Classification | Artificial📖 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: DTXSID4047094
Physical Properties
| Molecular Weight | 192.214 g/mol🔬 EPA CompTox |
| Density | 1.11 g/cm^3🔬 EPA CTX |
| Boiling Point | 273 °C🔬 EPA CTX |
| Melting Point | 85.5 °C🔬 EPA CTX |
| Flash Point | 113.15 °C🔬 EPA CTX |
| Refractive Index | 1.509 Dimensionless📊 OPERA |
| Molar Volume | 173.966 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.87 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.862 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.862 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.56 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Viscosity | 5.959 cP📊 OPERA |
| Surface Tension | 38.592 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.514 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 43.37 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 51.954 cm^3/mol📊 OPERA |
| Polarizability | 20.596 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.
