00420
Ethyl acetoacetate
≥98.0% (GC)
Synonym(s):
Acetoacetic ester
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About This Item
Linear Formula:
CH3COCH2COOC2H5
CAS Number:
Molecular Weight:
130.14
UNSPSC Code:
12352100
PubChem Substance ID:
eCl@ss:
39022303
EC Number:
205-516-1
Beilstein/REAXYS Number:
385838
MDL number:
InChI key
XYIBRDXRRQCHLP-UHFFFAOYSA-N
InChI
1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
SMILES string
CCOC(=O)CC(C)=O
vapor density
4.48 (vs air)
vapor pressure
1 mmHg ( 28.5 °C)
assay
≥98.0% (GC)
autoignition temp.
580 °F
expl. lim.
9.5 %
refractive index
n20/D 1.419
bp
181 °C (lit.)
mp
−43 °C (lit.)
density
1.029 g/mL at 20 °C (lit.)
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Storage Class
10 - Combustible liquids
wgk
WGK 1
flash_point_f
164.3 °F - closed cup
flash_point_c
73.5 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Ying-Hui Sun et al.
Journal of biochemical and biophysical methods, 70(6), 850-856 (2008-01-19)
Bacterial beta-ketoacyl-ACP reductase (FabG) and the beta-ketoacyl reductase domain in mammalian fatty acid synthase (FAS) have the same function and both are rendered as the novel targets for drugs. Herein we developed a convenient method, using an available compound ethyl
Genomes as resources for biocatalysis.
Jon D Stewart
Advances in applied microbiology, 59, 31-52 (2006-07-11)
Netta Nir et al.
Applied microbiology and biotechnology, 78(4), 659-667 (2008-01-23)
The asymmetric bio-reduction of 4-chloro-acetoacetic-acid-ethyl-ester to the pharmaceutical building block (S)-4-chloro-3-hydroxybutanoate-ethyl-ester requires the utilization of an enantioselective robust biocatalyst. Some of the natural Saccharomyces cerevisiae strains, isolated from Mount Carmel National Park in Israel, were characterized as resistant to environmental
Xiao-Ting Wang et al.
Journal of biotechnology, 163(3), 292-300 (2012-11-13)
The biocatalytic anti-Prelog stereoselective reduction of ethyl acetoacetate (EAA) to ethyl (R)-3-hydroxybutyrate {(R)-EHB} was successfully conducted in the aqueous system using immobilized Acetobacter sp. CCTCC M209061 cells. Among various microorganisms tested, Acetobacter sp. CCTCC M209061 gave the best performance and
Ramakrishnan Ganesan et al.
Langmuir : the ACS journal of surfaces and colloids, 25(16), 8888-8893 (2009-09-02)
A diazoketo-functionalized alkoxysilane compound was synthesized, and its self-assembled monolayer (SAM) formation was studied on glass and silicon substrates. Infrared spectroscopy was employed to follow the photoreaction in this system, which proved that carboxylic groups were generated from diazoketo groups
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