| Identification | |
| Name: | Butanoic acid,3-methyl-2-oxo-, sodium salt (1:1) |
| Synonyms: | Butanoicacid, 3-methyl-2-oxo-, sodium salt (9CI);Butyric acid, 3-methyl-2-oxo-, sodiumsalt (8CI);3-Methyl-2-oxobutanoic acid sodium salt;Sodium3-methyl-2-oxobutanoate;Sodium 3-methyl-2-oxobutyrate;Sodiumdimethylpyruvate;Sodium a-ketoisovalerate;Sodium a-oxoisovalerate; |
| CAS: | 3715-29-5 |
| EINECS: | 223-062-2 |
| Molecular Formula: | C5H7NaO3 |
| Molecular Weight: | 138.1 |
| InChI: | InChI=1/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1 |
| Molecular Structure: |  |
| Properties | |
| Stability: | Stable under normal temperatures and pressures. |
| Appearance: | White solid. |
| Specification: |
The Sodium 3-methyl-2-oxobutanoate with the cas number 3715-29-5 is also called Butanoic acid,3-methyl-2-oxo-, sodium salt (1:1). Its EINECS registry number is 223-062-2. The molecular formula is C5H7NaO3. This chemical should be stored at 0-5°C. The properties of the chemical are: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.23; (4)ACD/LogD (pH 7.4): -4.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.37 Å2; (13)Enthalpy of Vaporization: 44.83 kJ/mol; (14)Vapour Pressure: 0.732 mmHg at 25°C. Uses: This chemical can react with phenylmethanol to prepare 3-methyl-2-oxo-butyric acid benzyl ester. This reaction needs reagent SOCl2 at temperature of 0°C. The reaction time is 30 min. The yield is 82%. You can still convert the following datas into molecular structure: |
| Safety Data | |
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