Isopropyl isothiocyanate
Synonym(s):Isopropyl mustard oil
- CAS NO.：2253-73-8
- Empirical Formula: C4H7NS
- Molecular Weight: 101.17
- MDL number: MFCD00037830
- EINECS: 218-851-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-10-30 18:52:02
What is Isopropyl isothiocyanate?
Chemical properties
Colorless liquid; penetrating, mustard-like aroma.
Occurrence
Reported found in Brussel sprouts, Chinese cabbage, Japanese horseradish, and wasabi.
The Uses of Isopropyl isothiocyanate
Isopropyl isothiocyanate is used as is an antimicrobial agent. It is also used as medicinal intermediate.
The Uses of Isopropyl isothiocyanate
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.
Properties of Isopropyl isothiocyanate
| Melting point: | 168-170 °C |
| Boiling point: | 29-30 °C/10 mmHg (lit.) |
| Density | 0.948 g/mL at 25 °C (lit.) |
| refractive index | n |
| FEMA | 4425 | ISOPROPYL ISOTHIOCYANATE |
| Flash point: | 104 °F |
| storage temp. | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| form | clear liquid |
| Specific Gravity | 0.95 |
| color | Colorless to Light orange to Yellow |
| Odor | at 0.01 % in propylene glycol. pungent mustard |
| Water Solubility | Miscible with methanol. Hydrolyzes in water. |
| Sensitive | Moisture Sensitive |
| JECFA Number | 1888 |
| BRN | 1739163 |
| CAS DataBase Reference | 2253-73-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Isopropyl isothiocyanate(2253-73-8) |
Safety information for Isopropyl isothiocyanate
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Isopropyl isothiocyanate
New Products
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