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Isopropyl acetoacetate Structure

Isopropyl acetoacetate

Chemical Properties

Melting point -27°C
Boiling point 95 °C52 hPa(lit.)
Density  0.989 g/mL at 20 °C(lit.)
refractive index  n20/D 1.418
Flash point 73°C
storage temp.  Storage temp. 2-8°C
solubility  Chloroform, Ethyl Acetate, Methanol, Toluene,
form  Colourless Liquid
pka 11.67±0.46(Predicted)
color  Colorless to Almost colorless
Water Solubility  Slightly miscible with water.
Merck  14,5206
BRN  1757046
InChI 1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
InChIKey GVIIRWAJDFKJMJ-UHFFFAOYSA-N
SMILES CC(C)OC(=O)CC(C)=O
LogP 1.060 (est)
CAS DataBase Reference 542-08-5(CAS DataBase Reference)
EPA Substance Registry System Butanoic acid, 3-oxo-, 1-methylethyl ester (542-08-5)

Safety Information

Hazard Codes  Xi
Risk Statements  38
Safety Statements  26-36-24/25
WGK Germany  1
TSCA  TSCA listed
HS Code  29183000
Storage Class 10 - Combustible liquids
Hazard Classifications Skin Irrit. 2

MSDS

Usage And Synthesis

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