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Ethyl 2-isopropylacetoacetate Structure

Ethyl 2-isopropylacetoacetate

Chemical Properties

Boiling point 82-85 °C/12 mmHg (lit.)
Density  0.962 g/mL at 20 °C (lit.)
refractive index  n20/D 1.425
Flash point 76 °C
storage temp.  2-8°C
solubility  Chloroform, Ethyl Acetate
form  Oil
pka 12.28±0.46(Predicted)
color  Clear Colorless
BRN  636360
InChI InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3
InChIKey DMIFFKCVURTPTG-UHFFFAOYSA-N
SMILES C(OCC)(=O)C(C(C)=O)C(C)C
LogP 1.584 (est)
CAS DataBase Reference 1522-46-9(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 2-acetyl-3-methyl-, ethyl ester(1522-46-9)
EPA Substance Registry System Ethyl 2-isopropylacetoacetate (1522-46-9)

Safety Information

Safety Statements  23-24/25
WGK Germany  3
TSCA  TSCA listed
HS Code  2918300090
Storage Class 10 - Combustible liquids

MSDS

Usage And Synthesis

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