| 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 |
| Questions And Answer | Back Directory | [Preparation]
(1) After absorbing 1 kg of 30% liquid alkali (NaOH aqueous solution) into the reactor, add 0.7 kg of water to dilute it, start stirring, add 0.60 kg of carbon disulfide, control the temperature between 20℃ and 25℃, add 0.45 kg of isopropylamine dropwise, keep warm for 1 h, raise the temperature of the reactor to 60℃ to 80℃, react for 2 h, and obtain mixed solution A. The main substance in mixed solution A is N,N'-diisopropylthiourea salt; (2) Preheat another reactor to 90℃ to 100℃, and add mixed solution A and 1.40 kg of hydrogen peroxide (30% by mass) to the reactor. React at a constant temperature for 2 h to 3 h. During this process, N,N'-diisopropylthiourea salt is oxidized to isopropyl isothiocyanate to obtain mixed solution B. Distill mixed solution B at 120℃ to 125℃ to separate and obtain 0.39 kg of crude isopropyl isothiocyanate oil phase. |
| 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 | [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) |
| 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
| [REACH Registrations]
Active | [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 |
| 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. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
China Langchem Inc.
|
| Telephone: |
0086-21-58956006 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm |
|