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Methyl acetoacetate CAS#105-45-3
CAS Number: 105-45-3
Chemical Formula: Na2SO4
Synonyms:
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
Appearance: Oil Liquid
Methyl acetoacetate CAS#105-45-3
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.
Methyl acetoacetate Chemical Properties |
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 |
Fp | 158 °F |
storage temp. | 2-8°C |
solubility | 460 g/L (20°C) |
pka | 10.67±0.46(Predicted) |
form | Liquid |
color | APHA: ≤20 |
Odor | at 100.00 %. fresh fruity citrus green |
PH | 3.8 (863g/l, H2O, 20℃) |
Odor Type | fruity |
explosive limit | 1.3-14.2%(V) |
Water Solubility | 460 g/L (20 ºC) |
Merck | 14,6009 |
BRN | 506727 |
Cosmetics Ingredients Functions | PERFUMING |
InChI | 1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 |
InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N |
SMILES | COC(=O)CC(C)=O |
LogP | 0.185 (est) |
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 |
Hazard Codes | Xi |
Risk Statements | 36 |
Safety Statements | 26 |
RIDADR | NA1993 |
WGK Germany | 1 |
RTECS | AK5775000 |
Autoignition Temperature | 536 °F |
TSCA | TSCA listed |
HazardClass | CBL |
HS Code | 29183000 |
Storage Class | 10 - Combustible liquids |
Hazard Classifications | Eye Dam. 1 |
Hazardous Substances Data | 105-45-3(Hazardous Substances Data) |
Toxicity | LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter) |
Product Application of Methyl acetoacetate CAS#105-45-3
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.
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