3-(Methylthio)propyl isothiocyanate
- Product Name3-(Methylthio)propyl isothiocyanate
- CAS505-79-3
- CBNumberCB4472029
- MFC5H9NS2
- MW147.26
- EINECS208-020-3
- MDL NumberMFCD00209521
- MOL File505-79-3.mol
Chemical Properties
| Boiling point: | 254 °C(lit.) |
| Density | 1.102 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 3312 | 3-METHYLTHIOPROPYL ISOTHIOCYANATE |
| Flash point: | >230 °F |
| form | clear liquid |
| color | Light orange to Yellow to Green |
| Odor | at 0.01 % in propylene glycol. earthy vegetable sulfurous horseradish |
| Odor Type | rooty |
| biological source | synthetic |
| 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) |
| EPA Substance Registry System | Propane, 1-isothiocyanato-3-(methylthio)- (505-79-3) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 | |||||||||
| target organs | Respiratory system | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 23/24/25-36/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| RIDADR | 2810 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2930909099 | |||||||||
| Storage Class |
6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
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| 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 |
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| NFPA 704: |
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