Methyl 4,4-Dimethyl-3-oxovalerate , >95.0%(GC) , 55107-14-7

Synonym(s):
Methyl pivaloylacetate

CAS NO.：55107-14-7

Empirical Formula: C8H14O3

Molecular Weight: 158.2

MDL number: MFCD00008847

EINECS: 259-481-2

PRODUCT Properties

• Boiling point: 67-70 °C13 mm Hg(lit.)
• Density: 0.99 g/mL at 25 °C(lit.)
• vapor pressure: 0.4 mm Hg ( 20 °C)
• refractive index: n20/D 1.487(lit.)
• Flash point: 171 °F
• storage temp.: Store at room temperature
• pka: 10.78±0.46(Predicted)
• form: Liquid
• Specific Gravity: 0.99
• color: Clear colorless
• BRN: 1764796
• InChI: InChI=1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5H2,1-4H3
• InChIKey: XTXCFTMJPRXBBC-UHFFFAOYSA-N
• SMILES: C(OC)(=O)CC(=O)C(C)(C)C
• CAS DataBase Reference: 55107-14-7(CAS DataBase Reference)
• NIST Chemistry Reference: Pentanoic acid, 4,4-dimethyl-3-oxo-, methyl ester(55107-14-7)
• EPA Substance Registry System: Methyl 4,4,4-trimethylacetoacetate (55107-14-7)

Description and Uses

Methyl 4,4-dimethyl-3-oxopentanoate has been used:

• as substarte during InCl₃-catalyzed syntheses of some new dibenzo(d,f)(1,3)dioxepines and 12H-dibenzo(d,g)(1,3)dioxocin derivatives
• in the preparation of neat α-oxoketene, carbomethoxypivaloylketene

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• TSCA: Yes
• HS Code: 2915907098