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Merck
CN

E33904

Ethyl isothiocyanate

97%

Synonym(s):

Ethyl mustard oil

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About This Item

Linear Formula:
C2H5NCS
CAS Number:
542-85-8
Molecular Weight:
87.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24894513
EC Number:
208-831-2
Beilstein/REAXYS Number:
1737705
MDL number:
MFCD00004820

Key Documents

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Product Name

Ethyl isothiocyanate, 97%

InChI key

HBNYJWAFDZLWRS-UHFFFAOYSA-N

InChI

1S/C3H5NS/c1-2-4-3-5/h2H2,1H3

SMILES string

CCN=C=S

assay

97%

form

liquid

refractive index

n20/D 1.512 (lit.)

bp

130-132 °C (lit.)

mp

−6 °C (lit.)

density

0.995 g/mL at 25 °C (lit.)

Quality Level

100

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Related Categories

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

75.2 °F - closed cup

flash_point_c

24 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ2658
MKCZ1772
MKCZ1577
MKCX6550
MKCX1908

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Hirokuni Tajima et al.
Bioscience, biotechnology, and biochemistry, 67(8), 1844-1846 (2003-09-03)
Hydroxy isothiocyanates, especially 2-(4-hydroxyphenyl)ethyl isothiocyanate (hITC), were examined for antimicrobial synergism with streptomycin (SM) against Escherichia coli. On the course of those experiments, a peculiar suppression of SM by a low concentration of hITC was observed, besides the antibacterial synergism
James R Durig et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 68(3), 783-795 (2007-04-17)
Variable temperature (-105 to -150 degrees C) studies of the infrared spectra (3500-400 cm(-1)) of ethylisothiocyanate, CH(3)CH(2)NCS, dissolved in liquid krypton have been recorded. Additionally the infrared spectra of the gas and solid have been re-investigated. These spectroscopic data indicate
W H Mennicke et al.
Xenobiotica; the fate of foreign compounds in biological systems, 13(4), 203-207 (1983-04-01)
The metabolism of methyl, ethyl, butyl and allyl isothiocyanate, which occur as glucosinolates in a number of plants, was studied. Oral administration of the substances to the rat was followed by their renal excretion as mercapturic acids, which were isolated
Antonietta Melchini et al.
Journal of medicinal chemistry, 55(22), 9682-9692 (2012-09-25)
Dietary isothiocyanates (ITC) derived from cruciferous vegetables have been shown to have numerous biological effects consistent with chemoprotective activity. In this study we synthesized a novel ITC, 2-(2-pyridyl) ethyl ITC (PY-ITC), and assessed its chemopreventive ability in comparison to sulforaphane
Juyoung Lee et al.
Journal of the science of food and agriculture, 95(11), 2244-2251 (2014-10-02)
Glucosinolates are abundant in Brassicaceae vegetables, and they are degraded into various organic breakdown products (BPs) (R-CN, -NCS and -SCN) by myrosinase when plant tissues are damaged. This study was designed to investigate whether these BPs could be broken further

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