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:
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.)
SMILES string
CCOC(=O)CC(C)=O
InChI
1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChI key
XYIBRDXRRQCHLP-UHFFFAOYSA-N
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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
Regulatory Information
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Genomes as resources for biocatalysis.
Jon D Stewart
Advances in applied microbiology, 59, 31-52 (2006-07-11)
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
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 107840-25G | 04061838675873 |
| 107840-5G | 04061838675880 |
| 107840-100G | 04061838675859 |