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E33904

Sigma-Aldrich

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
Beilstein/REAXYS Number:
1737705
EC Number:
208-831-2
MDL number:
MFCD00004820
UNSPSC Code:
12352100
PubChem Substance ID:
24894513
NACRES:
NA.22

Quality Level

100

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.)

SMILES string

CCN=C=S

InChI

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

InChI key

HBNYJWAFDZLWRS-UHFFFAOYSA-N

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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_germany

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

Certificates of Analysis (COA)

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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
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
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
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
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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