17407-55-5
| Name | (S)-(+)-2-HYDROXY-3-METHYLBUTYRIC ACID |
| CAS | 17407-55-5 |
| EINECS(EC#) | 605-704-7 |
| Molecular Formula | C5H10O3 |
| MDL Number | MFCD00066443 |
| Molecular Weight | 118.13 |
| MOL File | 17407-55-5.mol |
Chemical Properties
| Appearance | white fine crystalline powder |
| Melting point | 68-70 °C (lit.) |
| Boiling point | 124-125 °C/13 mmHg (lit.) |
| density | 1.136 |
| refractive index | 1.4641 (estimate) |
| Fp | 112℃ |
| storage temp. | 2-8°C |
| solubility | DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml |
| form | Powder |
| pka | 3.87±0.16(Predicted) |
| color | White |
| Optical Rotation | [α]20/D +19°, c = 1 in chloroform |
| BRN | 1721140 |
| InChI | 1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1 |
| InChIKey | NGEWQZIDQIYUNV-BYPYZUCNSA-N |
| SMILES | CC(C)[C@H](O)C(O)=O |
| CAS DataBase Reference | 17407-55-5(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| F | 3-10 |
| Hazard Note | Irritant |
| HS Code | 29181990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |