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W442500

Sigma-Aldrich

Isopropyl isothiocyanate

97%

Synonym(s):

Isopropyl mustard oil

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About This Item

Linear Formula:
(CH3)2CHNCS
CAS Number:
2253-73-8
Molecular Weight:
101.17
FEMA Number:
4425
EC Number:
218-851-3
MDL number:
MFCD00037830
UNSPSC Code:
12164502

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

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Storage Class

3 - Flammable liquids

wgk_germany

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKAA4705

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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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