5459-58-5
| Name | n-Butyl cyanoacetate |
| CAS | 5459-58-5 |
| EINECS(EC#) | 226-730-1 |
| Molecular Formula | C7H11NO2 |
| MDL Number | MFCD00001941 |
| Molecular Weight | 141.17 |
| MOL File | 5459-58-5.mol |
Chemical Properties
| Appearance | Clear liquid |
| Boiling point | 230.7 °C |
| density | 1 |
| refractive index | n |
| Fp | 189 °F |
| storage temp. | 2-8°C |
| form | clear liquid |
| pka | 3.06±0.10(Predicted) |
| color | APHA: ≤60 |
| Water Solubility | IMMISCIBLE |
| Usage | Butyl cyanoacetate is used as intermediate for numerous organic syntheses, e.g. alpha-cyanoacrylic adhesives. Product Data Sheet |
| InChI | InChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3 |
| InChIKey | DJACTCNGCHPGOI-UHFFFAOYSA-N |
| SMILES | C(OCCCC)(=O)CC#N |
| CAS DataBase Reference | 5459-58-5(CAS DataBase Reference) |
| NIST Chemistry Reference | n-Butyl cyanoacetate(5459-58-5) |
| EPA Substance Registry System | 5459-58-5(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H312+H332-H315-H319-H335 |
| Precautionary statements | P280-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3276 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | AG3692500 |
| TSCA | TSCA listed |
| REACH Registrations | Active |
| PackingGroup | III |
| HS Code | 29269090 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |