CAS Number759-05-7
Synonymsa-keto-Isovaleric acid; Dimethylpyruvic acid; α-Oxo-β-methylbutyric acid; 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
Molecular FormulaC5H8O3
Molecular Weight116.12
Density1.1±0.1 g/cm3
Boiling Point170.2±9.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 759-05-7 |
| Catalog No. | 2A-9087438 |
| Chinese Name | 3-甲基-2-氧丁酸 |
| Synonyms | a-keto-Isovaleric acid; Dimethylpyruvic acid; α-Oxo-β-methylbutyric acid; 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 |
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.12 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 170.2±9.0 °C at 760 mmHg |
| Storage Condition | 2-8°C |
| Application | 3-Methyl-2-oxobutanoic acid is the precursor of pantothenic acid in Escherichia coli. |
| HTC | 2918300090 |
| MDL Number | MFCD00040427 |
| SMILES | CC(C)C(=O)C(=O)O |
| InChI | InChI=1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1 |
| InChI Key | QHKABHOOEWYVLI-UHFFFAOYSA-N |
| MSDS | msds/87438_1_759_05_7.pdf |
| Bioactivity | 3-Methyl-2-oxobutanoic acid is a precursor of pantothenic acid in Escherichia coli. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Others Target Human Endogenous Metabolite 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]. In Vivo 3-Methyl-2-oxobutanoic acid (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 Density 1.1±0.1 g/cm3 Boiling Point 170.2±9.0 °C at 760 mmHg Molecular Formula C5H8O3 Molecular Weight 116.115 Flash Point 71.0±15.2 °C Exact Mass 116.047340 PSA 54.37000 LogP -0.36 Vapour Pressure 0.7±0.7 mmHg at 25°C Index of Refraction 1.432 InChIKey QHKABHOOEWYVLI-UHFFFAOYSA-N SMILES CC(C)C(=O)C(=O)O Storage condition 2-8°C |
| Use of | 3-Methyl-2-oxobutanoic acid is a precursor of pantothenic acid in Escherichia coli. Properties Name 3-methyl-2-oxobutanoic acid Synonym More Synonyms α-Ketoisovaleric acid Biological Activity Description 3-Methyl-2-oxobutanoic acid is a precursor of pantothenic acid in Escherichia coli. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Others Human Endogenous Metabolite 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]. In Vivo 3-Methyl-2-oxobutanoic acid (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 C5H8O3 Exact Mass 116.047340 PSA 54.37000 LogP -0.36 Index of Refraction 1.432 InChIKey QHKABHOOEWYVLI-UHFFFAOYSA-N SMILES CC(C)C(=O)C(=O)O |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: 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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