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| | Isopropyl isothiocyanate Basic information |
| Product Name: | Isopropyl isothiocyanate | | Synonyms: | 2-ISOTHIOCYANATO-PROPANE;IPNCS;ISOPROPYL ISOTHIOCYANATE;ISOTHIOCYANIC ACID ISOPROPYL ESTER;Propane, 2-isothiocyanato-;Isopropyl isothiocyanate, 95+%;Isothiocyanato-2-propane;Isopropyl isothiocya | | CAS: | 2253-73-8 | | MF: | C4H7NS | | MW: | 101.17 | | EINECS: | 218-851-3 | | Product Categories: | Aliphatics | | Mol File: | 2253-73-8.mol |  |
| | Isopropyl isothiocyanate Chemical Properties |
| Melting point | 168-170 °C | | Boiling point | 29-30 °C/10 mmHg (lit.) | | density | 0.948 g/mL at 25 °C (lit.) | | FEMA | 4425 | ISOPROPYL ISOTHIOCYANATE | | refractive index | n20/D 1.493(lit.) | | Fp | 104 °F | | storage temp. | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C | | form | clear liquid | | color | Colorless to Light orange to Yellow | | Specific Gravity | 0.95 | | Odor | at 0.01 % in propylene glycol. pungent mustard | | Odor Type | alliaceous | | Water Solubility | Miscible with methanol. Hydrolyzes in water. | | Sensitive | Moisture Sensitive | | JECFA Number | 1888 | | BRN | 1739163 | | InChI | 1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3 | | InChIKey | VHBFEIBMZHEWSX-UHFFFAOYSA-N | | SMILES | CC(C)N=C=S | | LogP | 1.82 | | CAS DataBase Reference | 2253-73-8(CAS DataBase Reference) | | NIST Chemistry Reference | Isopropyl isothiocyanate(2253-73-8) |
| Hazard Codes | Xi,T | | Risk Statements | 10-36/37/38-23/24/25 | | Safety Statements | 16-26-36-45-38-36/37/39-28A | | RIDADR | UN 1993 3/PG 3 | | WGK Germany | 3 | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29309090 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| | Isopropyl isothiocyanate Usage And Synthesis |
| Chemical Properties | Colorless liquid; penetrating, mustard-like aroma. | | Occurrence | Reported found in Brussel sprouts, Chinese cabbage, Japanese horseradish, and wasabi. | | Uses | Isopropyl isothiocyanate is used as is an antimicrobial agent. It is also used as medicinal intermediate. | | Uses | Isopropyl isothiocyanate may be used to synthesize 4-bromo-5,6-dichloro-2-isopropylaminobenzimidazole. | | Aroma threshold values | High strength odor, recommend smelling in a 0.01% solution or less. | | General Description | Isopropyl isothiocyanate is an isothiocyanate derivative. It has been identified as one of the volatile components in the following:
- seed kernel and leaf of Moringa peregrina (Forssk.) Fiori, Agricolt1
- essential oil isolated from Upland Wasabi
- hydrodistillates of hedge mustard (Sysimbrium officinale)
Molecular conformations of isopropyl isothiocyanate in gas phase have been determined by electron diffraction studies. It has been synthesized by employing isopropyl amine as a starting reagent. |
| | Isopropyl isothiocyanate Preparation Products And Raw materials |
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