Octyl isothiocyanate
- Product NameOctyl isothiocyanate
- CAS4430-45-9
- MFC9H17NS
- MW171.3
- EINECS224-625-5
- MOL File4430-45-9.mol
Chemical Properties
| Boiling point | 125 °C (7 mmHg) |
| Density | 0.88 |
| refractive index | 1.49 |
| Flash point | 94 °C |
| form | clear liquid |
| Specific Gravity | 0.91 |
| color | Colorless to Light yellow |
| Water Solubility | It hydrolyzes in water. |
| λmax | 245nm(Dioxane)(lit.) |
| Sensitive | Moisture Sensitive |
| BRN | 1760783 |
| InChI | 1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3 |
| InChIKey | YEZHGQZHWKJPCM-UHFFFAOYSA-N |
| SMILES | CCCCCCCCN=C=S |
| LogP | 4.700 (est) |
| CAS DataBase Reference | 4430-45-9(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn,T |
| Risk Statements | 36/37/38-20/21/22-34-25-20/21 |
| Safety Statements | 36/37/39-26-45 |
| RIDADR | 2810 |
| WGK Germany | WGK 3 |
| HS Code | 2930.90.9250 |
| HazardClass | 8 |
| 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 Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Skin Corr. 1B |
