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12990

Sigma-Aldrich

Ethyl benzoylacetate

technical, ≥95% (HPLC)

Synonym(s):

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

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About This Item

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

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.)

functional group

ester
ketone
phenyl

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

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Application

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

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

12990-500ML:
12990-BULK:
12990-VAR:
12990-100ML:

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Certificates of Analysis (COA)

Lot/Batch Number
STBL1731
STBK0257
STBJ6759
STBJ2493
STBJ1615

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Tsugio Kitamura et al.
Organic letters, 13(9), 2392-2394 (2011-04-09)
A simple, practical, and convenient fluorination of 1,3-dicarbonyl compounds was achieved by direct use of aqueous hydrofluoric acid and iodosylbenzene (PhIO). The reaction of ethyl benzoylacetate with the reagent system of aqueous HF and PhIO in CH(2)Cl(2) gave ethyl 2-fluoro-2-benzolyacetate
Keisuke Gondo et al.
Molecules (Basel, Switzerland), 17(6), 6625-6632 (2012-06-26)
Reaction of dibenzoylmethane with (diacetoxyiodo)benzene in the presence of KOH in MeCN quantitatively gave the corresponding iodonium ylide, which was treated with a HF reagent to afford the corresponding 2-fluorinated dibenzoylmethane in 14-50% yields. The similar reaction of the iodonium

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