tert-Butyl acetoacetate

CAS No. 1694-31-1

Formula: C8H14O3
Basic Info

tert-Butyl Oxobutyrate is a chemical reagent used in the preparation of a potent Bcl-2/Bcl-xL inhibitor used in tumor inhibition. Also used in the synthesis of potent small molecule-peptide conjugates in HIV-1 inhibition.

Formula
C8H14O3
Molecular Weight
158.195
Exact Mass
158.094
LogP
1.3072
PSA
43.37
Synonyms

Acetoacetic acid tert-butyl ester

tert-butyl 3-oxobutanoate

Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester

tert-Butyl Acetoacetate

expand collapse

Properties
Appearance & Physical State
Clear yellow liquid.
Density
0.954
Boiling Point
190ºC
Melting Point
-38ºC
Flash Point
76ºC
Refractive Index
1.419-1.421
Stability
Stable under normal temperatures and pressures.
Storage Condition
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Vapor Pressure
0.749mmHg at 25°C
Safety Info
Safety Statements
S24/25
WGK Germany
1
Risk Statements
R36/37/38
HS Code
2918300090
RIDADR
UN 3272
Hazard Class
3.2
Packing Group
III
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
expand collapse
IR Spectrum IR : liquid film
expand collapse
Mass Spectrum Mass spectrum (electron ionization)
expand collapse
Raman Spectrum Raman : 4880 A,200 M,liquid
expand collapse
Home > Encyclopedi > Agrochemicals > Pesticide Intermediates > tert-Butyl acetoacetate

Related Compound Information

PRODUCTS
Coming Soon
SUPPLIERS
Coming Soon
BRANDING
Coming Soon