591-82-2
| Name | ISOBUTYL ISOTHIOCYANATE |
| CAS | 591-82-2 |
| EINECS(EC#) | 209-733-2 |
| Molecular Formula | C5H9NS |
| MDL Number | MFCD00022062 |
| Molecular Weight | 115.2 |
| MOL File | 591-82-2.mol |
Chemical Properties
| Boiling point | 160 °C |
| density | 0.94 |
| FEMA | 4424 | ISOBUTYL ISOTHIOCYANATE |
| refractive index | 1.4980 |
| Fp | 24°C |
| solubility | Insoluble in water, soluble in alcohol and oils. |
| form | clear liquid |
| color | Colorless to Light yellow to Light orange |
| Specific Gravity | 0.94 |
| Odor | green |
| Water Solubility | Hydrolyzes with water. |
| Sensitive | Moisture Sensitive |
| JECFA Number | 1886 |
| BRN | 1740371 |
| InChI | 1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3 |
| InChIKey | NSDDRJXKROCWRZ-UHFFFAOYSA-N |
| SMILES | CC(C)CN=C=S |
| LogP | 2.35 |
| CAS DataBase Reference | 591-82-2(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |    GHS02,GHS05,GHS06 |
| Signal word | Danger |
| Hazard statements | H226-H301-H311-H314-H318-H332 |
| Precautionary statements | P210-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a |
| Hazard Codes | F,C |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 1992 |
| WGK Germany | WGK 3 |
| RTECS | NX8780100 |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Flam. Liq. 3 Skin Corr. 1B |