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Ethyl benzoylacetate

ALDRICH/12980 - redist., ≥97.0% (HPLC)

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

CAS Number: 94-02-0
Empirical Formula (Hill Notation): C11H12O3
Molecular Weight: 192.21
EC Number: 202-295-3
MDL Number: MFCD00009196
Linear Formula: C6H5COCH2COOC2H5
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-12980-100ML 100 mL
 $235.00
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assay ≥97.0% (HPLC)
bp 265-270 °C (lit.)
density 1.11 g/mL at 25 °C (lit.)
functional group ester
  ketone
  phenyl
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
quality redist.
Quality Level 100 
refractive index n20/D 1.52 (lit.)
  n20/D 1.531
SMILES string CCOC(=O)CC(=O)c1ccccc1
solubility alcohol: miscible
  diethyl ether: miscible
  H2O: insoluble
vapor density 6.6 (vs air)
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
RIDADR NONH for all modes of transport
WGK Germany WGK 2
Flash Point(F) 284.0 °F - closed cup
Flash Point(C) 140 °C - closed cup
Purity ≥97.0% (HPLC)
bp 265-270 °C (lit.)
Density 1.11 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.52 (lit.); n20/D 1.531
UNSPSC 12352100

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