2,2-Dimethylbutyric acid
- CAS NO.：595-37-9
- Empirical Formula: C6H12O2
- Molecular Weight: 116.16
- MDL number: MFCD00004200
- EINECS: 209-865-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-10-30 18:52:02
What is 2,2-Dimethylbutyric acid?
Chemical properties
Colorless to light yellow or light green liquid
The Uses of 2,2-Dimethylbutyric acid
2,2-Dimethylbutyrate (DMB) is a potential treatment for thalassemia and hemoglobinopathies.
Definition
ChEBI: A branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potentially useful for the treatment of thalassaemias and haemoglobinopathies.
Synthesis Reference(s)
Synthetic Communications, 19, p. 1945, 1989 DOI: 10.1080/00397918908052587
Properties of 2,2-Dimethylbutyric acid
| Melting point: | -14°C |
| Boiling point: | 94-96 °C/5 mmHg (lit.) |
| Density | 0.928 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 175 °F |
| storage temp. | Refrigerator |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| form | Liquid |
| pka | pK1:5.03 (18°C) |
| Specific Gravity | 0.928 |
| color | Clear colorless to pale yellow |
| Decomposition | 176-178 ºC |
| BRN | 1720666 |
| CAS DataBase Reference | 595-37-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Butanoic acid, 2,2-dimethyl-(595-37-9) |
Safety information for 2,2-Dimethylbutyric acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2,2-Dimethylbutyric acid
| InChIKey | VUAXHMVRKOTJKP-UHFFFAOYSA-N |
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product: 595-37-9 2,2-Dimethylbutyric acid, 96% 99%
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