Methyl acetoacetate
Synonym(s):3-Oxobutanoic acid methyl ester;Acetoacetic acid methyl ester;MAA;Methyl 3-oxobutanoate, Methyl 3-oxobutyrate, Acetoacetic acid methyl ester;Methyl acetoacetate
- CAS NO.:105-45-3
- Empirical Formula: C5H8O3
- Molecular Weight: 116.12
- MDL number: MFCD00008784
- EINECS: 203-299-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:52
What is Methyl acetoacetate?
Chemical properties
Colorless, clear liquid
The Uses of Methyl acetoacetate
Methyl acetoacetate (MAA) is a starting material for the syntheses of alpha-substituted aceto- acetic esters and cyclic compounds, e.g. pyrazole, pyrimidine and coumarin derivatives.
The Uses of Methyl acetoacetate
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.
The Uses of Methyl acetoacetate
Methyl acetoacetate is used as a chemical reagent used in the synthesis of pharmaceuticals. It participates in the Biginelli reaction, forming molecules including dihydropyrimidinones.Methyl acetoacetate (MAA) is used for the synthesis of alpha-substituted aceto- acetic esters and cyclic compounds, e.g. pyrazole, pyrimidine and coumarin derivatives.
Production Methods
Methyl acetoacetate is produced by a reaction of methyl acetate with sodium methoxide.
Definition
ChEBI: Methylacetoacetic acid is an oxo carboxylic acid.
What are the applications of Application
Methyl acetoacetate (MAA) has been used for the following applications:
As a chemical reagent for organic synthesis and as a solvent for cellulose ethers;
As a chemical intermediate for organic compounds, used for the synthesis of nifedipine;
As a food additive, used as an amine protectant for synthetic sweeteners;
As a pharmaceutical raw material, used in the manufacture of antibiotics.
General Description
A clear colorless liquid. Flash point 158°F. Denser than water and slightly soluble in water. Vapors heavier than air.
Air & Water Reactions
Very slightly soluble in water.
Reactivity Profile
Methyl acetoacetate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides
Hazard
Toxic by ingestion and inhalation.
Health Hazard
May be harmful by inhalation, ingestion, or skin absorption. Causes eye irritation. May cause skin irritation.
Safety Profile
Moderately toxic by ingestion. A skin and severe eye irritant. Combustible when exposed to heat or flame. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Carcinogenicity
Not listed by ACGIH, IARC, NTP, or California Proposition 65.
Properties of Methyl acetoacetate
Melting point: | -80 °C (lit.) |
Boiling point: | 169-170 °C/70 mmHg (lit.) |
Density | 1.076 g/mL at 25 °C (lit.) |
vapor density | 4 (vs air) |
vapor pressure | 1 hPa (20 °C) |
refractive index | n |
Flash point: | 158 °F |
storage temp. | 2-8°C |
solubility | 460 g/L (20°C) |
form | Liquid |
pka | 10.67±0.46(Predicted) |
color | APHA: ≤20 |
PH | 3.8 (863g/l, H2O, 20℃) |
Odor | at 100.00 %. fresh fruity citrus green |
explosive limit | 1.3-14.2%(V) |
Water Solubility | 460 g/L (20 ºC) |
Merck | 14,6009 |
BRN | 506727 |
CAS DataBase Reference | 105-45-3(CAS DataBase Reference) |
NIST Chemistry Reference | Butanoic acid, 3-oxo-, methyl ester(105-45-3) |
EPA Substance Registry System | Methyl acetoacetate (105-45-3) |
Safety information for Methyl acetoacetate
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Methyl acetoacetate
InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N |
Methyl acetoacetate manufacturer
ARRAKIS INDUSTRIES LLP
SS Reagents and Chemicals
ASM Organics
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