W442500
Isopropyl isothiocyanate
97%
Synonym(s):
Isopropyl mustard oil
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About This Item
Linear Formula:
(CH3)2CHNCS
CAS Number:
Molecular Weight:
101.17
FEMA Number:
4425
UNSPSC Code:
12164502
EC Number:
218-851-3
MDL number:
biological source
synthetic
assay
97%
refractive index
n20/D 1.493 (lit.)
bp
29-30 °C/10 mmHg (lit.)
density
0.948 g/mL at 25 °C (lit.)
SMILES string
CC(C)N=C=S
InChI
1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3
InChI key
VHBFEIBMZHEWSX-UHFFFAOYSA-N
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
104.0 °F - closed cup
flash_point_c
40 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Patrizia De Nisi et al.
Foods (Basel, Switzerland), 10(2) (2021-02-07)
Sisymbrium officinale (L.) Scop. (hedge mustard) is a wild common plant of the Brassicaceae family. It is known as "the singers' plant" for its traditional use in treating aphonia and vocal disability. The plant is rich in glucosinolates and isothiocyanates;
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