3-Isopropenyl-alpha,alpha-dimethylbenzyl isocyanate
- Product Name3-Isopropenyl-alpha,alpha-dimethylbenzyl isocyanate
- CAS2094-99-7
- MFC13H15NO
- MW201.26
- EINECS402-440-2
- MOL File2094-99-7.mol
Chemical Properties
| Boiling point | 268-271 °C(lit.) |
| Density | 1.018 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point | >230 °F |
| form | clear liquid |
| color | Colorless to Almost colorless |
| InChI | 1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3 |
| InChIKey | ZVEMLYIXBCTVOF-UHFFFAOYSA-N |
| SMILES | CC(=C)c1cccc(c1)C(C)(C)N=C=O |
| CAS DataBase Reference | 2094-99-7(CAS DataBase Reference) |
| EPA Substance Registry System | m-Isopropenyl cumyl isocyanate (2094-99-7) |
Safety Information
| Hazard Codes | T+,N |
| Risk Statements | 26-34-42/43-48/20-50/53 |
| Safety Statements | 7-15-28-36/37/39-38-45-60-61 |
| RIDADR | UN 2206 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | DA3685000 |
| Autoignition Temperature | 838 °F |
| TSCA | TSCA listed |
| HS Code | 2929.10.8090 |
| HazardClass | 6.1(a) |
| PackingGroup | II |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Inhalation Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Resp. Sens. 1 Skin Corr. 1B Skin Sens. 1 STOT RE 2 Inhalation |
