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Ethyl isobutyrylacetate

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Ethyl isobutyrylacetate Basic information

Product Name:
Ethyl isobutyrylacetate
Synonyms:
  • Ethyl isobutyrylacetate, Ethyl 4-methyl-3-oxovalerate
  • Ethyl isobutyrylacetate 95%
  • 4-METHYL-3-OXO-PENTANOIC ACID ETHYL ESTER
  • ETHYL ISOBUTYROYL ACETATE
  • ETHYL ISOBUTYRYLACETATE
  • ETHYL 4-METHYL-3-OXOPENTANOATE
  • ETHYL-3-OXO-4-METHYLPENTANOATE
  • BETA-KETO-GAMMA-METHYLVALERIC ACID ETHYL ESTER
CAS:
7152-15-0
MF:
C8H14O3
MW:
158.2
EINECS:
230-491-9
Product Categories:
  • ester series
  • Building Blocks
  • C8 to C9
  • Carbonyl Compounds
  • Chemical Synthesis
  • Esters
  • Organic Building Blocks
Mol File:
7152-15-0.mol
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Ethyl isobutyrylacetate Chemical Properties

Melting point:
-9 °C (lit.)
Boiling point:
173 °C (lit.)
Density 
0.98 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.425(lit.)
Flash point:
128 °F
storage temp. 
Inert atmosphere,Room Temperature
solubility 
Soluble in chloroform and methanol.
form 
Liquid
pka
10.61±0.46(Predicted)
color 
Clear colorless to light yellow
BRN 
636726
InChI
InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3
InChIKey
XCLDSQRVMMXWMS-UHFFFAOYSA-N
SMILES
C(OCC)(=O)CC(=O)C(C)C
CAS DataBase Reference
7152-15-0(CAS DataBase Reference)
NIST Chemistry Reference
Pentanoic acid, 4-methyl-3-oxo-, ethyl ester(7152-15-0)
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Safety Information

Risk Statements 
10
Safety Statements 
16
RIDADR 
UN 3272 3/PG 3
WGK Germany 
3
HazardClass 
3
PackingGroup 
III
HS Code 
29183000

MSDS

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Ethyl isobutyrylacetate Usage And Synthesis

Chemical Properties

clear colorless to yellow liquid

Uses

Ethyl Isobutyrylacetate is used in the synthesis of piperazine derivatives as possible multireceptor atypical antipsychotics, affecting dopamine and serotonin receptor properties . Also used in the synthesis of pyrazinecarboxamide DGAT1 (diacylglycerol acyltransferase 1) inhibitors used in the treatment of obesity.

Ethyl isobutyrylacetate Preparation Products And Raw materials

Preparation Products

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