HEXYL ISOTHIOCYANATE
- Product NameHEXYL ISOTHIOCYANATE
- CAS4404-45-9
- MFC7H13NS
- MW143.25
- EINECS224-549-2
- MOL File4404-45-9.mol
Chemical Properties
| Melting point | 83 °C |
| Boiling point | 136-138 °C/96 mmHg (lit.) |
| Density | 0.929 g/mL at 25 °C (lit.) |
| FEMA | 4422 | HEXYL ISOTHIOCYANATE |
| refractive index | n |
| Flash point | 195 °F |
| storage temp. | RT, stored under nitrogen |
| Appearance | Colorless to light yellow Liquid |
| Odor | sharp green |
| Odor Type | green |
| Sensitive | Moisture Sensitive |
| JECFA Number | 1895 |
| BRN | 1751837 |
| InChI | InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3 |
| InChIKey | WXYAXKKXIGHXDS-UHFFFAOYSA-N |
| SMILES | C(N=C=S)CCCCC |
| LogP | 3.60 |
| CAS DataBase Reference | 4404-45-9(CAS DataBase Reference) |
Safety Information
| Hazard Codes | T |
| Risk Statements | 23/24/25-36/37/38-34-20/21/22 |
| Safety Statements | 23-26-36/37/39-45 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| F | 10-21 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
