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HomeProduct name listIsopropyl isothiocyanate

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
Isopropyl isothiocyanate Structural

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  n20/D 1.493(lit.)
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)
ghs
Flame
Flammables
GHS02
ghs
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

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