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Merck
CN

165263

Ethyl 2-ethylacetoacetate

90%

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About This Item

Linear Formula:
CH3COCH(C2H5)COOC2H5
CAS Number:
Molecular Weight:
158.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-151-6
Beilstein/REAXYS Number:
636286
MDL number:
Assay:
90%
Form:
liquid
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assay

90%

form

liquid

refractive index

n20/D 1.421 (lit.)

bp

87-189 °C/743 mmHg (lit.)

density

0.981 g/mL at 25 °C (lit.)

functional group

ester, ketone

SMILES string

CCOC(=O)C(CC)C(C)=O

InChI

1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3

InChI key

OKANYBNORCUPKZ-UHFFFAOYSA-N

Application

Ethyl 2-ethylacetoacetate was used in the synthesis of 2-alkylidenetetrahydrofurans, diphenyllead(IV) thiosemicarbazonates and pyrazolonates. It was used as starting reagent in the synthesis of 2-ethylfumaric acid.


Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

156.2 °F - closed cup

flash_point_c

69 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

Regulatory Information

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Diphenyllead (IV) thiosemicarbazonates and pyrazolonates: Synthesis and characterization.
Casas JS, et al.
Polyhedron, 28(5), 1029-1039 (2009)
Hans Raj et al.
Applied microbiology and biotechnology, 94(2), 385-397 (2011-10-19)
Methylaspartate ammonia lyase (MAL; EC 4.3.1.2) catalyzes the reversible addition of ammonia to mesaconate to give (2S,3S)-3-methylaspartate and (2S,3R)-3-methylaspartate as products. MAL is of considerable biocatalytic interest because of its potential use for the asymmetric synthesis of substituted aspartic acids
Efficient synthesis of functionalized furans and benzofurans based on a '[3+ 2] cyclization/oxidation'strategy.
Bellur E, et al.
Tetrahedron Letters, 46(13), 2185-2187 (2005)



Global Trade Item Number

SKUGTIN
165263-25G04061838748621