Ethyl benzoylacetate, 90+%

Description

CAS: 94-02-0 | C11H12O3 | 192.214 g/mol

Ethyl benzoylacetate is used as a flavoring agent and an intermediate in organic synthesis. Further, it is used in the preparation of triazipinones, iodonium ylides, ethyl 2-fluoro-2-benzolyacetate and benzo[c]furan-4,7-diones. It is involved in the Clisen condensation reaction with malononitrile to prepare 2-cyano-5-phenyl-3,5-dioxopentanonitrile.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Ethyl benzoylacetate is used as a flavoring agent and an intermediate in organic synthesis. Further, it is used in the preparation of triazipinones, iodonium ylides, ethyl 2-fluoro-2-benzolyacetate and benzo[c]furan-4,7-diones. It is involved in the Clisen condensation reaction with malononitrile to prepare 2-cyano-5-phenyl-3,5-dioxopentanonitrile.

Solubility
Miscible with ethanol and ether. Immiscible with water.

Notes
Air and light sensitive. Incompatible with acids, bases, oxidizing agents and reducing agents.

Specifications

Chemical Identifiers

• CAS: 94-02-0
• Molecular Formula: C11H12O3
• Molecular Weight (g/mol): 192.214
• MDL Number: MFCD00009196
• InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N
• Synonym: ethyl benzoylacetate, benzoylacetic acid ethyl ester, ethyl benzoyl acetate, acetic acid, benzoyl-, ethyl ester, ethyl beta-oxobenzenepropanoate, ethylbenzoylacetate, benzoylacetic acid, ethyl ester, ethyl 3-phenyl-3-oxopropanoate, benzenepropanoic acid, beta-oxo-, ethyl ester, ethyl 3-oxo-3-phenylpropionate
• PubChem CID: 7170
• IUPAC Name: ethyl 3-oxo-3-phenylpropanoate
• SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1

• Density: 1.113
• Boiling Point: 266°C to 270°C
• Flash Point: 140°C (284°F)
• Refractive Index: 1.529
• Quantity: 50 g
• Beilstein: 389944
• Merck Index: 14,3767
• Solubility Information: Miscible with ethanol and ether. Immiscible with water.
• Formula Weight: 192.21
• Percent Purity: 96%
• Chemical Name or Material: Ethyl benzoylacetate

Safety and Handling

EINECSNumber	202-295-3
RTECSNumber	AF4878000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only