DL-Isocitric acid lactone
- Product NameDL-Isocitric acid lactone
- CAS4702-32-3
- CBNumberCB0406275
- MFC6H6O6
- MW174.11
- EINECS225-178-9
- MDL NumberMFCD00005397
- MOL File4702-32-3.mol
Chemical Properties
| Melting point: | 162-165 °C(lit.) |
| Boiling point: | 225.05°C (rough estimate) |
| Density | 1.4285 (rough estimate) |
| refractive index | 1.5860 (estimate) |
| storage temp. | -20°C Freezer, Under inert atmosphere |
| solubility | DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
| form | Solid |
| pka | 2.72±0.40(Predicted) |
| color | White to Off-White |
| BRN | 174242 |
| InChI | 1S/C6H6O6/c7-3-1-2(5(8)9)4(12-3)6(10)11/h2,4H,1H2,(H,8,9)(H,10,11) |
| InChIKey | UKZDIMBDWHZXOK-UHFFFAOYSA-N |
| SMILES | OC(=O)C1CC(=O)OC1C(O)=O |
| CAS DataBase Reference | 4702-32-3(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| PPE | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications |
Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |