CAS Number3715-29-5
SynonymsButanoic acid, 3-methyl-2-oxo-, sodium salt (1:1); MFCD00002581; EINECS 223-062-2; sodium,3-methyl-2-oxobutanoate; Butanoic acid, 3-methyl-2-oxo-, sodium salt; Sodium 3-methyl-2-oxobutanoate; 3-Methyl-2-oxobutanoic acid
Molecular Formula(CH3)2CHCOCOONa
Molecular Weight138.10
Purity95%
Boiling Point170.2ºC at 760 mmHg
Melting Point220-230 °C (dec.) (lit.)
Appearancesolid
EINECS223-062-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3715-29-5 |
| Catalog No. | 2A-9011105 |
| Chinese Name | 3-甲基-2-氧代丁酸钠 |
| Synonyms | Butanoic acid, 3-methyl-2-oxo-, sodium salt (1:1); MFCD00002581; EINECS 223-062-2; sodium,3-methyl-2-oxobutanoate; Butanoic acid, 3-methyl-2-oxo-, sodium salt; Sodium 3-methyl-2-oxobutanoate; 3-Methyl-2-oxobutanoic acid |
| Molecular Formula | (CH3)2CHCOCOONa |
| Molecular Weight | 138.10 |
| Purity | 95 |
| Boiling Point | 170.2ºC at 760 mmHg |
| Melting Point | 220-230 °C (dec.) (lit.) |
| Appearance | solid |
| Storage Condition | Sealed and stored in a cool, dry warehouse. |
| Application | Sodium 3-methyl-2-oxobutyrate is the precursor of pantothenic acid in Escherichia coli [1][2][3]. |
| EINECS | 223-062-2 |
| HTC | 2904909090 |
| PubChem ID | 24851887 |
| MDL Number | MFCD00002581 |
| SMILES | [Na+].CC(C)C(=O)C([O-])=O |
| InChI | 1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1 |
| InChI Key | WIQBZDCJCRFGKA-UHFFFAOYSA-M |
| Beilstein/REAXYS | 4334552 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| MSDS | msds/11105_1_3715_29_5.pdf |
| Bioactivity | Sodium 3-methyl-2-oxobutanoate is a precursor of pantothenic acid in Escherichia coli[1][2][3]. Related Catalog Research Areas >> Others In Vitro Sodium 3-methyl-2-oxobutanoate (alpha-Ketoisovaleric acid) is a precursor of pantothenic acid in Escherichia coli[1]. Sodium 3-methyl-2-oxobutanoate (alpha-Ketoisovaleric acid) enhances alpha-ketoisocaproic acid and alpha-keto-beta-methyl-n-valeric acid, but diminishes the corresponding amino acids, and causes an early decline of ornithine along with a late augmentation of plasma arginine[2]. In Vivo Sodium 3-methyl-2-oxobutanoate (alpha-Ketoisovaleric acid) induces convulsions through GABAergic and glutamatergic mechanisms in rats[3]. References [1]. MAAS WK, et al. alpha-Ketoisovaleric acid, a precursor of pantothenic acid in Escherichia coli. J Bacteriol. 1953 Apr;65(4):388-93. [2]. Schauder P, et al. Oral administration of alpha-ketoisovaleric acid or valine in humans: blood kinetics and biochemical effects. J Lab Clin Med. 1984 Apr;103(4):597-605. [3]. Coitinho AS, et al. Pharmacological evidence that alpha-ketoisovaleric acid induces convulsions through GABAergic and glutamatergic mechanisms in rats. Brain Res. 2001 Mar 9;894(1):68-73. Chemical & Physical Properties Boiling Point 170.2ºC at 760 mmHg Melting Point 220-230 °C (dec.)(lit.) Molecular Formula C5H7NaO3 Molecular Weight 138.097 Exact Mass 138.029282 PSA 57.20000 InChIKey WIQBZDCJCRFGKA-UHFFFAOYSA-M SMILES CC(C)C(=O)C(=O)[O-].[Na+] Storage condition Store at 0-5°C |
| Use of | Sodium 3-methyl-2-oxobutanoate is a precursor of pantothenic acid in Escherichia coli[1][2][3]. Properties Articles27 Name 3-Methyl-2-oxobutanoic acid, sodium salt Synonym More Synonyms Sodium 3-methyl-2-oxobutanoate Biological Activity Description Sodium 3-methyl-2-oxobutanoate is a precursor of pantothenic acid in Escherichia coli[1][2][3]. Related Catalog Research Areas >> Others In Vitro Sodium 3-methyl-2-oxobutanoate (alpha-Ketoisovaleric acid) is a precursor of pantothenic acid in Escherichia coli[1]. Sodium 3-methyl-2-oxobutanoate (alpha-Ketoisovaleric acid) enhances alpha-ketoisocaproic acid and alpha-keto-beta-methyl-n-valeric acid, but diminishes the corresponding amino acids, and causes an early decline of ornithine along with a late augmentation of plasma arginine[2]. In Vivo Sodium 3-methyl-2-oxobutanoate (alpha-Ketoisovaleric acid) induces convulsions through GABAergic and glutamatergic mechanisms in rats[3]. References [1]. MAAS WK, et al. alpha-Ketoisovaleric acid, a precursor of pantothenic acid in Escherichia coli. J Bacteriol. 1953 Apr;65(4):388-93. [2]. Schauder P, et al. Oral administration of alpha-ketoisovaleric acid or valine in humans: blood kinetics and biochemical effects. J Lab Clin Med. 1984 Apr;103(4):597-605. [3]. Coitinho AS, et al. Pharmacological evidence that alpha-ketoisovaleric acid induces convulsions through GABAergic and glutamatergic mechanisms in rats. Brain Res. 2001 Mar 9;894(1):68-73. Chemical & Physical Properties Molecular Formula C5H7NaO3 Exact Mass 138.029282 PSA 57.20000 InChIKey WIQBZDCJCRFGKA-UHFFFAOYSA-M SMILES CC(C)C(=O)C(=O)[O-].[Na+] |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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