Ethyl isobutyrylacetate , 98% , 7152-15-0

Synonym(s):
Ethyl 4-methyl-3-oxopentanoate

CAS NO.：7152-15-0

Empirical Formula: C8H14O3

Molecular Weight: 158.2

MDL number: MFCD00009198

EINECS: 230-491-9

PRODUCT 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.
• pka: 10.61±0.46(Predicted)
• form: Liquid
• 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)

Description and 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.

Safety

• Symbol(GHS): GHS02
• Signal word: Warning
• Hazard statements: H226
• Precautionary statements: P241-P280a-P501a-P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
• PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
• Risk Statements: 10
• Safety Statements: 16
• RIDADR: UN 3272 3/PG 3
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: III
• HS Code: 29183000
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Flam. Liq. 3
• Limited Quantities: 1.0 L (0.3 gallon) (liquid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)