505-79-3
| Name | 3-(Methylthio)propyl isothiocyanate |
| CAS | 505-79-3 |
| EINECS(EC#) | 208-020-3 |
| Molecular Formula | C5H9NS2 |
| MDL Number | MFCD00209521 |
| Molecular Weight | 147.26 |
| MOL File | 505-79-3.mol |
Chemical Properties
| Boiling point | 254 °C(lit.) |
| density | 1.102 g/mL at 25 °C(lit.) |
| FEMA | 3312 |
| refractive index | n |
| Fp | >230 °F |
| form | clear liquid |
| color | Light orange to Yellow to Green |
| Odor | at 0.01 % in propylene glycol. earthy vegetable sulfurous horseradish |
| biological source | synthetic |
| Odor Type | rooty |
| Sensitive | Moisture Sensitive |
| JECFA Number | 1564 |
| Major Application | flavors and fragrances |
| InChI | 1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3 |
| InChIKey | LDKSCZJUIURGMW-UHFFFAOYSA-N |
| SMILES | CSCCCN=C=S |
| LogP | 2.06 |
| CAS DataBase Reference | 505-79-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Propane, 1-isothiocyanato-3-(methylthio)-(505-79-3) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 2810 |
| WGK Germany | 3 |
| TSCA | Yes |
| 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 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |