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
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 ). |
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 |