| Identification | More | [Name]
Isopropyl isothiocyanate | [CAS]
2253-73-8 | [Synonyms]
2-ISOTHIOCYANATO-PROPANE
IPNCS
ISOPROPYL ISOTHIOCYANATE
ISOTHIOCYANIC ACID ISOPROPYL ESTER
Propane, 2-isothiocyanato-
Isopropyl isothiocyanate, 95+%
Isothiocyanato-2-propane | [EINECS(EC#)]
218-851-3 | [Molecular Formula]
C4H7NS | [MDL Number]
MFCD00037830 | [Molecular Weight]
101.17 | [MOL File]
2253-73-8.mol |
| Chemical Properties | Back Directory | [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 | [LogP]
1.82 | [CAS DataBase Reference]
2253-73-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Isopropyl isothiocyanate(2253-73-8) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,T | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
3
| [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29309090 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid | [Chemical Properties]
Colorless liquid; penetrating, mustard-like aroma. | [Occurrence]
Reported found in Brussel sprouts, Chinese cabbage, Japanese horseradish, and wasabi. | [Uses]
Isopropyl isothiocyanate may be used to synthesize 4-bromo-5,6-dichloro-2-isopropylaminobenzimidazole. | [Uses]
Isopropyl isothiocyanate is used as is an antimicrobial agent. It is also used as medicinal intermediate. | [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. |
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