3-Methyl-3-buten-2-one
- Product Name3-Methyl-3-buten-2-one
- CAS814-78-8
- MFC5H8O
- MW84.12
- EINECS212-405-1
- MOL File814-78-8.mol
Chemical Properties
| Melting point | -54°C |
| Boiling point | 98°C |
| Density | 0,86 g/cm3 |
| refractive index | 1.4210 to 1.4250 |
| Flash point | 9°C |
| storage temp. | Freezer |
| Water Solubility | Slightly soluble in water |
| solubility | Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | clear liquid |
| color | Colorless to Light yellow |
| Odor | Very pungent; pleasant; sweet. |
| Henry's Law Constant | 9.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003) |
| InChI | 1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3 |
| InChIKey | ZGHFDIIVVIFNPS-UHFFFAOYSA-N |
| SMILES | CC(=C)C(C)=O |
| LogP | 0.561 (est) |
| CAS DataBase Reference | 814-78-8 |
| NIST Chemistry Reference | 3-Buten-2-one, 3-methyl-(814-78-8) |
Safety Information
| Hazard Codes | F,T+ |
| Risk Statements | 11-23/24/25-36/37/38-27-25 |
| Safety Statements | 16-29-33-36/37/39-45-28-26 |
| RIDADR | UN 1246 (METHYL ISOPROPENYL KETONE, STABILIZED) |
| WGK Germany | WGK 3 |
| RTECS | EN0175000 |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29141900 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 1 Dermal Acute Tox. 3 Oral Eye Irrit. 2 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3 |
| Hazardous Substances Data | 814-78-8(Hazardous Substances Data) |
