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12980

Ethyl benzoylacetate

Name: Ethyl benzoylacetate
Brand: ALDRICH

redist., ≥97.0% (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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

57647044

EC Number:

202-295-3

Beilstein/REAXYS Number:

389944

MDL number:

MFCD00009196

Assay:

≥97.0% (HPLC)

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Properties

vapor density

6.6 (vs air)

Quality Segment

100

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.)

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

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.

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Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

284.0 °F - closed cup

flash_point_c

140 °C - closed cup

ppe

Eyeshields, Gloves

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