| 3-(Methylthio)propyl isothiocyanate Basic information |
| Product Name: | 3-(Methylthio)propyl isothiocyanate |
| Synonyms: | 1-isothiocyanato-3-(methylthio)-Propane;Propane, 1-isothiocyanato-3-(methylthio)-;3-(METHYLTHIO)PROPYL ISOTHIOCYANATE 98&;METHYLTHIOPROPYLISOTHIOCYANATE;Isothiocyanic Acid 3-(Methylthio)propyl Ester;IBERVERIN(RG);(3-isothiocyanatopropyl)(Methyl)sulfane;1-Isothiocyanato-3-(methylsulfanyl)propane |
| CAS: | 505-79-3 |
| MF: | C5H9NS2 |
| MW: | 147.26 |
| EINECS: | 208-020-3 |
| Product Categories: | Alphabetical Listings;Flavors and Fragrances;Miscellaneous Natural Products;thioester Flavor;M-N |
| Mol File: | 505-79-3.mol |
| 3-(Methylthio)propyl isothiocyanate Chemical Properties |
| Boiling point | 254 °C(lit.) |
| density | 1.102 g/mL at 25 °C(lit.) |
| FEMA | 3312 | 3-METHYLTHIOPROPYL ISOTHIOCYANATE |
| refractive index | n |
| Fp | >230 °F |
| form | clear liquid |
| color | Light orange to Yellow to Green |
| Sensitive | Moisture Sensitive |
| JECFA Number | 1564 |
| InChIKey | LDKSCZJUIURGMW-UHFFFAOYSA-N |
| 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 Information |
| Hazard Codes | Xi |
| Risk Statements | 23/24/25-36/38 |
| Safety Statements | 26-36 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29309090 |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| ALFA | English |
| 3-(Methylthio)propyl isothiocyanate Usage And Synthesis |
| Description | 3-Methylthiopropyl isothiocyanate has a characteristic radish odor. May be prepared from 3-methylthiopropylamine and CSCl2. |
| Chemical Properties | 3-Methylthiopropyl isothiocyanate has a characteristic radish, irritating odor |
| Chemical Properties | Colorless liquid |
| Occurrence | Reported found in the hydrolysates of crucifer seeds and Lesquerella seed meal, in Iberis sempervirens seeds, in cabbage, kohlrabi, horseradish, Japanese horseradish, cauliflower and radish |
| Uses | Iberverin is an inducer of phase II detoxification enzymes. |
| Preparation | From 3-methylthiopropylamine and CSCl2. |
| Aroma threshold values | Detection: 5 ppb. Aroma characteristics at 0.1%: musty, radish, rooty, metallic, vegetative, sulfurous cabbage, horseradish with green mustard nuances |
| Taste threshold values | Taste characteristics at 5 ppm: rooty radish, sulfurous, earthy vegetative and metallic, horseradish with a methional nuance |
| 3-(Methylthio)propyl isothiocyanate Preparation Products And Raw materials |
| Raw materials | 3-(METHYLTHIO)PROPYLAMINE-->Thiophosgene |
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