3-METHYL-2-OXOVALERIC ACID
- CAS NO.：1460-34-0
- Empirical Formula: C6H10O3
- Molecular Weight: 130.14
- MDL number: MFCD00002582
- EINECS: 215-955-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-07 21:39:59
What is 3-METHYL-2-OXOVALERIC ACID?
Definition
ChEBI: A 2-oxo monocarboxylic acid that is valeric acid carrying oxo- and methyl substituents at C-2 and C-3, respectively. An alpha-keto acid analogue and metabolite of isoleucine in man, animals and bacteria. Used as a clinical marker for maple syrup urine disease (MSUD).
Synthesis Reference(s)
The Journal of Organic Chemistry, 39, p. 600, 1974 DOI: 10.1021/jo00919a004
Properties of 3-METHYL-2-OXOVALERIC ACID
| Melting point: | 42°C |
| Boiling point: | 84 °C / 18mmHg |
| Density | 1.087±0.06 g/cm3(Predicted) |
| FEMA | 3870 | 3-METHYL-2-OXOPENTANOIC ACID |
| storage temp. | Refrigerator |
| solubility | DMSO : 130 mg/mL (998.92 mM) |
| pka | 2.65±0.54(Predicted) |
| form | powder to crystal |
| color | White to Light yellow |
| JECFA Number | 632 |
| CAS DataBase Reference | 1460-34-0(CAS DataBase Reference) |
Safety information for 3-METHYL-2-OXOVALERIC ACID
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for 3-METHYL-2-OXOVALERIC ACID
| InChIKey | JVQYSWDUAOAHFM-UHFFFAOYSA-N |
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