3,3-Dimethyl-2-oxobutyric acid
- CAS NO.：815-17-8
- Empirical Formula: C6H10O3
- Molecular Weight: 130.14
- MDL number: MFCD00154352
- EINECS: 212-418-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-05-27 15:57:40
What is 3,3-Dimethyl-2-oxobutyric acid?
The Uses of 3,3-Dimethyl-2-oxobutyric acid
3,?3-?Dimethyl-?2-?oxobutyric acid was used as an inhibitor in a study for tuberculosis,as it was analyzed for its binding affinity to pantothenate synthetase (PS)?, an essential metabolic enzyme in the pantothenate biosynthetic.
Definition
ChEBI: 3,3-dimethyl-2-oxobutanoic acid is a 2-oxo monocarboxylic acid that is 3,3-dimethylbutyric acid substituted by an oxo group at position 2. It is functionally related to a 3,3-dimethylbutyric acid.
Properties of 3,3-Dimethyl-2-oxobutyric acid
| Melting point: | 90.5°C |
| Boiling point: | 80 °C / 15mmHg |
| Density | 1.06 |
| refractive index | 1.4270-1.4320 |
| Flash point: | 13 °C |
| storage temp. | Inert atmosphere,Room Temperature |
| Water Solubility | Soluble in water |
| form | powder to lump to clear liquid |
| pka | 2.65±0.54(Predicted) |
| color | White or Colorless to Almost white or Almost colorless |
| CAS DataBase Reference | 815-17-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Butanoic acid, 3,3-dimethyl-2-oxo-(815-17-8) |
| EPA Substance Registry System | 3,3-Dimethyl-2-oxobutyric acid (815-17-8) |
Safety information for 3,3-Dimethyl-2-oxobutyric 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 3,3-Dimethyl-2-oxobutyric acid
| InChIKey | IAWVHZJZHDSEOC-UHFFFAOYSA-N |
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