Allyl cyanoacetate
- Product NameAllyl cyanoacetate
- CAS13361-32-5
- MFC6H7NO2
- MW125.13
- EINECS236-423-4
- MOL File13361-32-5.mol
Chemical Properties
| Melting point | -40.0°C |
| Boiling point | 110 °C20 mm Hg(lit.) |
| Density | 1.065 g/mL at 25 °C(lit.) |
| vapor pressure | 0.05 hPa |
| refractive index | n |
| Flash point | >230 °F |
| storage temp. | Store below +30°C. |
| pka | 3.79±0.10(Predicted) |
| form | clear liquid |
| color | Colorless to Light orange to Yellow |
| Specific Gravity | 1.065 |
| InChI | 1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2 |
| InChIKey | WXKCRCGKCOKJEF-UHFFFAOYSA-N |
| SMILES | C=CCOC(=O)CC#N |
| CAS DataBase Reference | 13361-32-5(CAS DataBase Reference) |
| EPA Substance Registry System | Acetic acid, cyano-, 2-propenyl ester (13361-32-5) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-28-36/37/39-45 |
| RIDADR | UN 3276 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | AG3690000 |
| TSCA | TSCA listed |
| HS Code | 2926 90 70 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |
| Toxicity | LD50 orally in Rabbit: 160 mg/kg |
