Methyl acetoacetate
CAS No.: 105-45-3 Formula: C5H8O3 Molecular Weight: 116.11500
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Methyl acetoacetate

CAS No.: 105-45-3 Formula: C5H8O3 Molecular Weight: 116.11500
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Description

3-Oxobutanoic Acid Methyl Ester is a chemical reagent used in the synthesis of pharmaceuticals. It participates in the Biginelli reaction, forming molecules including dihydropyrimidinones.

Basic Info

Chemical Name Methyl acetoacetate
Synonyms

Methyl 3-oxobutanoate; Acetoacetic Acid Methyl Ester; Methyl 3-Oxobutyrate; 3-Oxobutyric acid methyl ester; Butanoic acid, 3-oxo-, methyl ester;

CAS No. 105-45-3
Molecular Formula C5H8O3
Molecular Weight 116.11500
PSA 43.37000
LogP 0.13850

Numbering system

EINECS number 203-299-8
RTECS number AK5775000
MDL number MFCD00008784
BRN number 506727

Properties

Appearance & Physical State Colorless liquid.
Density 1.077
Boiling Point 169-170ºC
Melting Point -80ºC
Flash Point 67ºC
Refractive Index 1.4175-1.4295
Water Solubility 460 g/L (20 ºC)
Stability Stable under normal temperatures and pressures.
Storage Condition Store in a cool, dry place. Keep container closed when not in use.
Vapor Pressure 1.54mmHg at 25°C

Safety Info

RTECS AK5775000
Safety Statements S26
HS Code 2918300090
WGK Germany 1
Risk Statements R36
Hazard Codes Xi
1H NMR : 400 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 400 MHz in CDCl3

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C5 H8 O3 0.05 ml : 0.5 ml CDCl3
methyl acetoacetate

Assign. Shift(ppm)
A 12.03
B 5.005
C 3.738
D 3.718
E 3.496
F 2.272
G 1.961

J(B,G)=-1.5HZ
90MHZ : HSP-02-231

IR : liquid filmExpand
Mass spectrum (electron ionization)Expand
Raman : 4880 A,200 M,liquidExpand
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