4-Methyl-2-oxovaleric acid
ALDRICH/68255 - ≥98.0% (T)
Synonym: α-Ketoisocaproic acid; 2-Oxoisocaproic acid; 4-
CAS Number: 816-66-0
Empirical Formula (Hill Notation): C6H10O3
Molecular Weight: 130.14
EC Number: 212-435-5
MDL Number: MFCD00066204
Linear Formula: (CH3)2CHCH2COCOOH
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 68255-1G.
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 68255-5G.
| assay | ≥98.0% (T) |
| bp | 82-83 °C/11 mmHg (lit.) |
| density | 1.055 g/mL at 20 °C (lit.) |
| InChI | 1S/C6H10O3/c1-4(2)3-5(7)6 |
| InChI key | BKAJNAXTPSGJCU-UHFFFAOYSA |
| mp | 8-10 °C |
| refractive index | n |
| SMILES string | CC(C)CC(=O)C(O)=O |
| storage temp. | 2-8°C |
| Application: | • Role in Human Brain Ketometabolism: 4-Methyl-2-oxovaleric acid has been implicated in the temporal patterns of ketometabolism in cerebral microdialysis fluids of patients with traumatic brain injury, underscoring its significance in biochemical pathways within the brain (Eiden et al., 2019   ). |
| General description: | 4-Methyl-2-oxovaleric acid, also known as α-ketoisocaproic acid (KIC), is a metabolite of leucine. It is commonly used as a building block in the synthesis of leucine and its derivatives, and it plays a role in amination reactions and asymmetric synthesis. Additionally, KIC serves as an intermediate in the formation of Strecker aldehydes. |
| Packaging: | 1, 5 g in glass bottle |
| Symbol |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405 |
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3265 8 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | ≥98.0% (T) |
| bp | 82-83 °C/11 mmHg (lit.) |
| mp | 8-10 °C |
| Density | 1.055 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |