β-Hydroxyisovaleric acid
ALDRICH/55453 - ≥95.0% (T)
Synonym: 3-
CAS Number: 625-08-1
Empirical Formula (Hill Notation): C5H10O3
Molecular Weight: 118.13
MDL Number: MFCD00059081
Linear Formula: C5H10O3
Product Type: Chemical
| assay | ≥95.0% (T) |
| bp | 88 °C/1 mmHg (lit.) |
| density | 0.938 g/mL at 25 °C (lit.) |
| InChI | 1S/C5H10O3/c1-5(2,8)3-4(6 |
| InChI key | AXFYFNCPONWUHW-UHFFFAOYSA |
| mp | −80 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(C)(O)CC(O)=O |
| Application: | β-Hydroxyisovaleric acid can be used as as a precursor for steroid alcohols. |
| Application: | It is widely used in the synthesis of the anthrax tetrasaccharide and its analogs as anthrax vaccine candidates. β-hydroxyisovaleric acid can also be used in the synthesis of β-lactones by intramolecular dehydration condensation using 2-methyl-6-nitrobenzoic anhydride (MNBA). |
| Packaging: | 1 g in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 3334 |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113 °C - closed cup |
| Purity | ≥95.0% (T) |
| bp | 88 °C/1 mmHg (lit.) |
| mp | −80 °C (lit.) |
| Density | 0.938 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |