00410
Ethyl acetoacetate
puriss. p.a., ≥99.0% (GC)
Synonym(s):
Acetoacetic ester
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About This Item
vapor density
4.48 (vs air)
Quality Level
vapor pressure
1 mmHg ( 28.5 °C)
grade
puriss. p.a.
assay
≥99.0% (GC)
autoignition temp.
580 °F
expl. lim.
9.5 %
impurities
≤0.5% water
refractive index
n20/D 1.419
bp
181 °C (lit.)
mp
−43 °C (lit.)
solubility
water: soluble 130 g/L at 20 °C
density
1.029 g/mL at 20 °C (lit.)
cation traces
Al: ≤0.5 mg/kg, Ba: ≤0.1 mg/kg, Bi: ≤0.1 mg/kg, Ca: ≤0.5 mg/kg, Cd: ≤0.05 mg/kg, Co: ≤0.02 mg/kg, Cr: ≤0.02 mg/kg, Cu: ≤0.02 mg/kg, Fe: ≤0.1 mg/kg, K: ≤0.5 mg/kg, Li: ≤0.1 mg/kg, Mg: ≤0.1 mg/kg, Mn: ≤0.02 mg/kg, Mo: ≤0.1 mg/kg, Na: ≤0.5 mg/kg, Ni: ≤0.02 mg/kg, Pb: ≤0.1 mg/kg, Sr: ≤0.1 mg/kg, Zn: ≤0.5 mg/kg
functional group
ester, ketone
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
Application
- Knoevenagel condensation products by reacting with α-alkylideneacetoacetate and aliphatic, aromatic, heteroaromatic aldehydes.
- Michael adducts, via Michael addition reaction with chalcones and azachalcones in the presence of a base catalyst.
- Substituted nicotinic acid derivatives by treating with α, β-unsaturated oximes via Michael addition followed by ring closure reaction.
It can be also utilized as a reactant in the transesterification and asymmetric hydrogenation reactions to produce valuable products.
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This Item | |||
|---|---|---|---|
| assay ≥99.0% (GC) | assay 99% | assay ≥97% | assay ≥99.0% (GC) |
| Quality Level 200 | Quality Level 200 | Quality Level 300, 400 | Quality Level 100 |
| solubility water: soluble 130 g/L at 20 °C | 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 |
| bp 181 °C (lit.) | bp 181 °C (lit.) | bp 181 °C (lit.) | bp 181 °C (lit.) |
| mp −43 °C (lit.) | mp −43 °C (lit.) | mp −43 °C (lit.) | mp −43 °C (lit.) |
| refractive index n20/D 1.419 | refractive index - | refractive index n20/D 1.418-1.421 | refractive index n/D 1.418-1.420 |
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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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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 246530-25G | 04061838097002 |
| 246530-1G | 04061838118752 |
| 246530-5G | 04061838118769 |
| 00410-100ML | 04061838602817 |
| 00410-1L | 04061838602824 |