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E33904

Sigma-Aldrich

Ethyl isothiocyanate

97%

Synonym(s):
Ethyl mustard oil
Linear Formula:
C2H5NCS
CAS Number:
Molecular Weight:
87.14
Beilstein:
1737705
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

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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Related Categories

Signal Word

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 Code

3 - Flammable liquids

WGK Germany

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

Certificate of Analysis

Certificate of Origin

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...
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...
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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