4-Methyl-2-oxovaleric acid
Synonym(s):α-Ketoisocaproic acid;2-Oxoisocaproic acid;4-Methyl-2-oxopentanoic acid;Ketoleucine
- CAS NO.：816-66-0
- Empirical Formula: C6H10O3
- Molecular Weight: 130.14
- MDL number: MFCD00066204
- EINECS: 212-435-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-12-03 18:03:33
What is 4-Methyl-2-oxovaleric acid?
Occurrence
Reported found in banana, asparagus, cheese, white wine, cocoa, blue cheese and provolone cheese.
The Uses of 4-Methyl-2-oxovaleric acid
4-Methyl-2-oxovaleric acid is an intermediate in the metabolism of leucine and also used as flavoring agents.
What are the applications of Application
4-Methyl-2-oxovaleric acid is an intermediate in the metabolism of leucine
Definition
ChEBI: A 2-oxo monocarboxylic acid that is pentanoic acid (valeric acid) substituted with a keto group at C-2 and a methyl group at C-4. A metabolite that has been found to accumulate in maple syrup urine disease.
Properties of 4-Methyl-2-oxovaleric acid
| Melting point: | 8-10 °C |
| Boiling point: | 82-83 °C11 mm Hg(lit.) |
| Density | 1.055 g/mL at 20 °C(lit.) |
| refractive index | n |
| FEMA | 3871 | 4-METHYL-2-OXOPENTANOIC ACID |
| storage temp. | 2-8°C |
| solubility | DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml |
| pka | 2.65±0.54(Predicted) |
| form | clear liquid |
| color | Colorless to Yellow |
| Odor | fruity |
| Water Solubility | Soluble in water. |
| JECFA Number | 633 |
| BRN | 1701823 |
| CAS DataBase Reference | 816-66-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Methyl-2-oxovaleric acid(816-66-0) |
| EPA Substance Registry System | .alpha.-Ketoisocaproic acid (816-66-0) |
Safety information for 4-Methyl-2-oxovaleric acid
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 4-Methyl-2-oxovaleric acid
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