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| CAS No.: | 609-14-3 |
|---|---|
| Name: | Ethyl 2-methylacetoacetate |
| Article Data: | 126 |
| Molecular Structure: | |
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| Formula: | C7H12O3 |
| Molecular Weight: | 144.17 |
| Synonyms: | Acetoaceticacid, 2-methyl-, ethyl ester (6CI,7CI,8CI);Acetoacetic acid, a-methyl-, ethyl ester (3CI);2-Methyl-3-oxobutanoic acid ethyl ester;2-Methyl-3-oxobutyric acid ethylester;2-Methylacetoacetic acid ethyl ester;Ethyl 2-acetylpropanoate;Ethyl 2-acetylpropionate;Ethyl 2-methyl-3-oxobutanoate;Ethyl2-methyl-3-oxobutyrate;Ethyl3-oxo-2-methylbutanoate;Ethyl methylacetoacetate;Ethyl a-acetylpropionate;Ethyl a-methylacetoacetate;Ethyl a-methylacetylacetate;NSC 1102;a-Methylacetoacetic ester; |
| EINECS: | 210-179-9 |
| Density: | 0.994 g/cm3 |
| Melting Point: | -45 °C |
| Boiling Point: | 185.756 °C at 760 mmHg |
| Flash Point: | 68.857 °C |
| Solubility: | immiscible with water |
| Appearance: | clear colorless to yellow liquid |
| Safety: | 24/25 |
| Transport Information: | UN 1993 |
| PSA: | 43.37000 |
| LogP: | 0.77460 |
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Chemistry
IUPAC Name: Ethyl 2-methyl-3-oxobutanoate
Following is the structure of Butanoic acid,2-methyl-3-oxo-, ethyl ester (CAS NO.609-14-3):
Empirical Formula: C7H12O3
Molecular Weight: 144.1684
EINECS: 210-179-9
Index of Refraction: 1.413
Molar Refractivity: 36.24 cm3
Molar Volume: 145 cm3
Density: 0.993 g/cm3
Flash Point: 68.9 °C
Melting point: -45 °C
Water Solubility IMMISCIBLE
Surface Tension: 29.4 dyne/cm
Enthalpy of Vaporization: 42.2 kJ/mol
Boiling Point: 185.8 °C at 760 mmHg
Vapour Pressure: 0.686 mmHg at 25 °C
Appearance of Butanoic acid,2-methyl-3-oxo-, ethyl ester (CAS NO.609-14-3): clear colorless to yellow liquid
Product Categories: Pharmaceutical Intermediates; Drug Intermediates; Organic acids; C6 to C7; Carbonyl Compounds; Esters
Canonical SMILES: CCOC(=O)C(C)C(=O)C
InChI: InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3
InChIKey: FNENWZWNOPCZGK-UHFFFAOYSA-N
Toxicity Data With Reference
Butanoic acid,2-methyl-3-oxo-, ethyl ester (CAS NO.609-14-3) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
Safety Profile
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
RIDADR: 1993
WGK Germany: 3
Specification
Butanoic acid,2-methyl-3-oxo-, ethyl ester , its cas register number 609-14-3. It also can be called Ethyl 2-acetylpropionate ; Ethyl 2-methyl-3-oxobutanoate ; Ethyl 2-methyl-3-oxobutyrate ; Ethyl 2-methylacetoacetate ; Ethyl alpha-acetylpropionate ; Ethyl alpha-methylacetylacetate ; Ethyl methylacetoacetate ; and alpha-Methylacetoacetic ester .
Butanoic acid,2-methyl-3-oxo-, ethyl ester (CAS NO.609-14-3) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, strong bases. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported.