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00410

Ethyl acetoacetate

puriss. p.a., ≥99.0% (GC)

Synonym(s):

Acetoacetic ester

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100 mL

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$55.20
1 L

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$79.50

About This Item

Linear Formula:
CH3COCH2COOC2H5
CAS Number:
Molecular Weight:
130.14
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39022303
UNSPSC Code:
12352100
EC Number:
205-516-1
MDL number:
Beilstein/REAXYS Number:
385838
Assay:
≥99.0% (GC)

$55.20


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vapor density

4.48 (vs air)

Quality Segment

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

Ethyl acetoacetate can be used as a reactant in the synthesis of:
  • 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
53734963954W241504
description

puriss. p.a., ≥99.0% (GC)

description

ReagentPlus®, 99%

description

analytical standard

description

≥99%, FCC, FG

assay

≥99.0% (GC)

assay

99%

assay

≥99.0% (GC)

assay

≥99%

solubility

water: soluble 130 g/L at 20 °C

solubility

water: soluble 130 g/L at 20 °C

solubility

water: soluble 130 g/L at 20 °C

solubility

water: soluble 130 g/L at 20 °C

Quality Level

200

Quality Level

200

Quality Level

100

Quality Level

300, 400

refractive index

n20/D 1.419

refractive index

-

refractive index

n/D 1.418-1.420

refractive index

n20/D 1.418-1.421

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.)

density

1.029 g/mL at 20 °C (lit.)

mp

−43 °C (lit.)

mp

−43 °C (lit.)

mp

−43 °C (lit.)

mp

−43 °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 (personal protective equipment)

Eyeshields, Gloves, type ABEK (EN14387) respirator filter



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