E33904
Ethyl isothiocyanate
97%
Synonym(s):
Ethyl mustard oil
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About This Item
Linear Formula:
C2H5NCS
CAS Number:
Molecular Weight:
87.14
Beilstein:
1737705
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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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Signal Word
Danger
Hazard Statements
Precautionary Statements
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 Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
75.2 °F - closed cup
Flash Point(C)
24 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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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