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Isobutyl acetoacetate Structure

Isobutyl acetoacetate

Chemical Properties

Melting point 177-179 °C(Solv: ethyl ether (60-29-7))
Boiling point 100 °C/22 mmHg (lit.)
Density  0.98 g/mL at 25 °C (lit.)
FEMA  2177 | ISOBUTYL ACETOACETATE
refractive index  n20/D 1.424(lit.)
Flash point 173 °F
storage temp.  Sealed in dry,Store in freezer, under -20°C
form  liquid
pka 10+-.0.46(Predicted)
color  clear
Odor at 10.00 % in dipropylene glycol. sweet wine brandy fruity
Odor Type fruity
JECFA Number 597
BRN  1761405
InChI 1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3
InChIKey ZYXNLVMBIHVDRH-UHFFFAOYSA-N
SMILES CC(C)COC(=O)CC(C)=O || CC(C)COC(=O)CC(C)=O
LogP 1.60
CAS DataBase Reference 7779-75-1(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 3-oxo-, 2-methylpropyl ester(7779-75-1)
EPA Substance Registry System Butanoic acid, 3-oxo-, 2-methylpropyl ester (7779-75-1)

Safety Information

WGK Germany  3
TSCA  TSCA listed
HS Code  2918.30.9000
Storage Class 10 - Combustible liquids

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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