Introduction：Basic information about CAS 759-05-7|α-Ketoisovaleric acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | α-Ketoisovaleric acid |
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| CAS Number | 759-05-7 | Molecular Weight | 116.115 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 170.2±9.0 °C at 760 mmHg |
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| Molecular Formula | C5H8O3 | Melting Point | / |
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| MSDS | / | Flash Point | 71.0±15.2 °C |
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Names
| Name | 3-methyl-2-oxobutanoic acid |
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| Synonym | More Synonyms |
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α-Ketoisovaleric acid BiologicalActivity
| Description | 3-Methyl-2-oxobutanoic acid is a precursor of pantothenic acid in Escherichia coli. |
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| Related Catalog | Natural Products >>Acids and AldehydesResearch Areas >>Others |
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| Target | Human Endogenous Metabolite |
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| In Vitro | 3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) is a precursor of pantothenic acid in Escherichia coli[1]. 3-Methyl-2-oxobutanoic acid (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]. |
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| In Vivo | 3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) induces convulsions through GABAergic and glutamatergic mechanisms in rats[3]. |
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| 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. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 170.2±9.0 °C at 760 mmHg |
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| Molecular Formula | C5H8O3 |
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| Molecular Weight | 116.115 |
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| Flash Point | 71.0±15.2 °C |
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| Exact Mass | 116.047340 |
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| PSA | 54.37000 |
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| LogP | -0.36 |
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| Vapour Pressure | 0.7±0.7 mmHg at 25°C |
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| Index of Refraction | 1.432 |
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| InChIKey | QHKABHOOEWYVLI-UHFFFAOYSA-N |
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| SMILES | CC(C)C(=O)C(=O)O |
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| Storage condition | 2-8°C |
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2918300090 |
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Customs
| HS Code | 2918300090 |
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| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| a-keto-Isovaleric acid |
| Dimethylpyruvic acid |
| α-Oxo-β-methylbutyric acid |
| Butanoic acid, 3-methyl-2-oxo- |
| 2-Ketoisovaleric acid |
| KETOVALINE |
| 2-Oxo-3-methylbutyric acid |
| 3-Methyl-2-oxo-butanoic Acid |
| Isopropylglyoxylic acid |
| a-Oxo-b-methylbutyric acid |
| a-keto-b-Methylbutyric acid |
| α-keto-β-Methylbutyric acid |
| a-Oxoisovaleric acid |
| 3-methyl-2-oxo-Butyric acid |
| α-Oxoisovaleric acid |
| 2-Oxo-3-methylbutanoic acid |
| 3-Methyl-2-oxobutanoic acid |
