8.09622
Ethyl acetoacetate
for synthesis
Synonym(s):
Ethyl acetoacetate, EAA, Acetoacetic acid ethyl ester
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vapor pressure
0.26 hPa ( 20 °C)
Quality Level
assay
≥98.0% (GC)
form
liquid
autoignition temp.
350 °C
potency
3980 mg/kg LD50, oral (Rat)
>5000 mg/kg LD50, skin (Rabbit)
expl. lim.
1.0-54 % (v/v)
pH
4.0 (20 °C, 110 g/L in H2O)
mp
-53.3 °C
transition temp
flash point 73.5 °C
solubility
130.3 g/L
density
1.03 g/cm3 at 20 °C
storage temp.
2-30°C
SMILES string
O(CC)C(=O)CC(=O)C
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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This Item | 63954 | W241512 | W241504 |
|---|---|---|---|
| assay ≥98.0% (GC) | assay ≥99.0% (GC) | assay ≥97% | assay ≥99% |
| solubility 130.3 g/L | solubility water: soluble 130 g/L at 20 °C | solubility water: soluble 35 part, organic solvents: soluble | solubility water: soluble 130 g/L at 20 °C |
| Quality Level 200 | Quality Level 100 | Quality Level 400 | Quality Level 400 |
| density 1.03 g/cm3 at 20 °C | density 1.029 g/mL at 20 °C (lit.) | density 1.029 g/mL at 20 °C (lit.) | density 1.029 g/mL at 20 °C (lit.) |
| form liquid | form - | form - | form - |
| mp -53.3 °C | mp −43 °C (lit.) | mp −43 °C (lit.) | mp −43 °C (lit.) |
Application
- 7-hydroxycoumarin derivatives via Pechmann condensation reaction with 1,3-dihydroxybenzene in the presence of acid catalysts.[1]
- 2,6-disubstituted piperidine alkaloid, (−)-pinidinone via stereoselective α-aminoallylation followed by Grubbs′ olefin cross-metathesis reaction.[2]
- Michael addition products via Michael addition reaction with chalcones and azachalcones in the presence of a base catalyst.[3]
- α, β-unsaturated carbonyl compounds via Knoevenagel condensation reaction with glyceraldehyde acetonide in the presence of a base catalyst.[4]
It can be also utilized as a reactant in the transesterification and asymmetric hydrogenation reactions to produce valuable products.[5][6]
Analysis Note
Density (d 20 °C/ 4 °C): 1.028 - 1.030
Identity (IR): passes test
Storage Class
10 - Combustible liquids
wgk_germany
WGK 1
flash_point_f
164.3 °F - closed cup
flash_point_c
73.5 °C - closed cup
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