3-Mercaptoisobutyric acid
- Product Name3-Mercaptoisobutyric acid
- CAS26473-47-2
- CBNumberCB6724872
- MFC4H8O2S
- MW120.17
- EINECS247-726-6
- MDL NumberMFCD00671555
- MOL File26473-47-2.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 122°C 12mm |
| Density | 1,15 g/cm3 |
| refractive index | 1.4820 to 1.4860 |
| FLAVIS Number | 12.135 | 3-Mercapto-2-methylpropionic acid |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol |
| pka | 4.41±0.10(Predicted) |
| form | liquid |
| color | Colourless to Pale Yellow |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C4H8O2S.Na/c1-3(2-7)4(5)6;/h3,7H,2H2,1H3,(H,5,6);/q;+1/p-1 |
| InChIKey | FOTPRJUNQGWLCM-UHFFFAOYSA-M |
| SMILES | [Na+].SCC(C)C(=O)[O-] |
| LogP | 0.733 (est) |
| CAS DataBase Reference | 26473-47-2(CAS DataBase Reference) |
| FDA UNII | V3E4016VAS |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
 
|
| Signal word | Danger |
| Hazard statements | H290-H301-H314-H332 |
| Precautionary statements | P234-P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38-36/38 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | WGK 3 |
| HS Code | 2930909899 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Acute Tox. 4 Inhalation Eye Dam. 1 Met. Corr. 1 Skin Corr. 1B |
