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12980 Sigma-Aldrich

Ethyl benzoylacetate

redist., ≥97.0% (HPLC)

Synonym: Benzoylacetic acid ethyl ester, Ethyl 3-oxo-3-phenylpropionate

  • CAS Number 94-02-0

  • Linear Formula C6H5COCH2COOC2H5

  • Molecular Weight 192.21

  •  Beilstein/REAXYS Number 389944

  •  EC Number 202-295-3

  •  MDL number MFCD00009196

  •  PubChem Substance ID 57647044

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Properties

Related Categories Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   100
vapor density   6.6 (vs air)
assay   ≥97.0% (HPLC)
quality   redist.
refractive index   n20/D 1.52 (lit.)
  n20/D 1.531
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.

Packaging

100 mL in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 2
RTECS 
AF4878000
Flash Point(F) 
284.0 °F - closed cup
Flash Point(C) 
140 °C - closed cup
Protocols & Articles
Peer-Reviewed Papers
15

References

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