5394-63-8
| Name | 2,2,6-Trimethyl-4H-1,3-dioxin-4-one |
| CAS | 5394-63-8 |
| EINECS(EC#) | 226-403-3 |
| Molecular Formula | C7H10O3 |
| MDL Number | MFCD00040468 |
| Molecular Weight | 142.15 |
| MOL File | 5394-63-8.mol |
Chemical Properties
| Appearance | Dark brown liquid |
| Melting point | 12-13 °C(lit.) |
| Boiling point | ~275 °C(lit.) |
| density | 1.07 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 67 °F |
| storage temp. | 2-8°C |
| solubility | water: insoluble |
| form | Liquid |
| color | Dark brown |
| Water Solubility | practically insoluble |
| Usage | Diketene-Acetone Adduct can be used in place of diketene in many reactions. As a transportable form of diketene, it is especially important in those countries, where the transportation of diketene is not allowed or at least not desired. |
| BRN | 2408 |
| Exposure limits | ACGIH: TWA 250 ppm; STEL 500 ppm OSHA: TWA 1000 ppm(2400 mg/m3) NIOSH: IDLH 2500 ppm; TWA 250 ppm(590 mg/m3) |
| InChI | InChI=1S/C7H10O3/c1-5-4-6(8)10-7(2,3)9-5/h4H,1-3H3 |
| InChIKey | XFRBXZCBOYNMJP-UHFFFAOYSA-N |
| SMILES | O1C(C)=CC(=O)OC1(C)C |
| CAS DataBase Reference | 5394-63-8(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225-H319 |
| Precautionary statements | P210-P305+P351+P338 |
| Hazard Codes | F,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1993 3/PG 2 |
| WGK Germany | 3 |
| REACH Registrations | Active |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29329995 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 2 |