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: 2025-09-25 17:15:13

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)	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.