3-METHYL-2-OXOBUTYRIC ACIDDISCONTINUED
3-methyl-2-oxobutyric acid
CAS: 759-05-7
Molecular Formula: C5H8O3
3-METHYL-2-OXOBUTYRIC ACIDDISCONTINUED - Names and Identifiers
| Name | 3-methyl-2-oxobutyric acid |
| Synonyms | 2-oxoisovaleric acid alpha-ketoisovalerate 2-Ketoisovaleric acid 3-methyl-2-oxobutyric acid 3-methyl-2-oxo-butanoicaci 3-methyl-2-ketobutanoic acid 3-methyl-2-oxo-butanoic acid Butanoic acid, 3-methyl-2-oxo- 3-METHYL-2-OXOBUTYRIC ACIDDISCONTINUED |
| CAS | 759-05-7 |
| EINECS | 212-065-4 |
| InChI | InChI=1/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) |
3-METHYL-2-OXOBUTYRIC ACIDDISCONTINUED - Physico-chemical Properties
| Molecular Formula | C5H8O3 |
| Molar Mass | 116.12 |
| Density | 0.9968 |
| Melting Point | 31.5℃ |
| Boling Point | 170.5℃ |
| JECFA Number | 631 |
| Water Solubility | 400.6g/L(20 ºC) |
| pKa | 2.57±0.54(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.3850 |
| In vitro study | 3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) is a precursor of pantothenic acid in Escherichia coli . 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. |
| In vivo study | 3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) induces convulsions through GABAergic and glutamatergic mechanisms in rats. |
3-METHYL-2-OXOBUTYRIC ACIDDISCONTINUED - Reference Information
| FEMA | 3869 | 3-METHYL-2-OXOBUTANOIC ACID |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): 0.5~10 non-alcoholic beverages; Alcoholic beverages, candy, frosting, sauce, jam, jelly, soup, 1.0~10.0; Cheese 0.8~10; Gum, Hard Candy, 5~10; Condiment 1.0~5.0; Fat, dairy products, 0.5~5.0; cold drinks 1.2~10.0; Fruit ice 0.5~3.0; Gel products, pudding, 0.7~5.0; Formula 2.0~10.0; Instant coffee and tea, processed fruits, 0.1~1.0; refluxed vegetables 0.6~10; Processed vegetables 0.01~1.0; Sugar substitutes 0.03~5.0; Spices 50~100. |
| biological activity | 3-Methyl-2-oxobutanoic acid (alpha-Ketoisovalerate, alpha-Ketoisovaleric acid) is a neurotoxin, abnormal metabolites produced by incomplete cleavage of branched-chain amino acids. |
Last Update：2024-04-09 20:52:54
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