4840-81-7
| Name | 4-METHYL-2-PENTANONE-1,1,1,3,3-D5 |
| CAS | 4840-81-7 |
| Molecular Formula | C6H12O |
| MDL Number | MFCD01074182 |
| Molecular Weight | 100.16 |
| MOL File | 4840-81-7.mol |
Chemical Properties
| Melting point | −80 °C(lit.) |
| Boiling point | 117-118 °C (lit.) |
| density | 0.841 g/mL at 25 °C |
| refractive index | n |
| Fp | 56 °F |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) Water (Slightly) |
| form | Oil |
| color | Colourless |
| InChI | 1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3/i3D3,4D2 |
| InChIKey | NTIZESTWPVYFNL-IKISXXDZSA-N |
| SMILES | [2H]C([2H])([2H])C(=O)C([2H])([2H])C(C)C |
Safety Data
| Hazard Codes | F,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1245 3/PG 2 |
| WGK Germany | 3 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Inhalation Carc. 2 Inhalation Eye Irrit. 2 Flam. Liq. 2 STOT SE 3 |