12990

Ethyl benzoylacetate

technical, ≥95% (HPLC)

• Synonym(s): Benzoylacetic acid ethyl ester, Ethyl 3-oxo-3-phenylpropionate
• Linear Formula: C₆H₅COCH₂COOC₂H₅
• CAS Number: 94-02-0
• Molecular Weight: 192.21
• Beilstein: 389944
• EC Number: 202-295-3
• MDL number: MFCD00009196
• UNSPSC Code: 12352100
• PubChem Substance ID: 57647045
• NACRES: NA.22

Properties

• vapor density: 6.6 (vs air)
• Quality Level: 100
• grade: technical
• Assay: ≥95% (HPLC)
• form: liquid
• refractive index: n20/D 1.52 (lit.); n20/D 1.520-1.540
• bp: 265-270 °C (lit.)
• solubility: H₂O: insoluble; alcohol: miscible; diethyl ether: miscible
• density: 1.11 g/mL at 25 °C (lit.)
• SMILES string: CCOC(=O)CC(=O)c1ccccc1
• InChI: 1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
• InChI key: GKKZMYDNDDMXSE-UHFFFAOYSA-N

Description

Application

Ethyl benzoylacetate (Benzoylacetic acid ethyl ester) was used to prepare ethyl 2-fluoro-2-benzolyacetate. It was also used to synthesize iodonium ylides.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 284.0 °F - closed cup
• Flash Point(C): 140 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves