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Key Documents

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E33904

Sigma-Aldrich

Ethyl isothiocyanate

97%

Sinônimo(s):

Ethyl mustard oil

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About This Item

Fórmula linear:
C2H5NCS
Número CAS:
542-85-8
Peso molecular:
87.14
Beilstein:
1737705
Número CE:
208-831-2
Número MDL:
MFCD00004820
Código UNSPSC:
12352100
ID de substância PubChem:
24894513
NACRES:
NA.22

Nível de qualidade

100

Ensaio

97%

forma

liquid

índice de refração

n20/D 1.512 (lit.)

pb

130-132 °C (lit.)

pf

−6 °C (lit.)

densidade

0.995 g/mL at 25 °C (lit.)

cadeia de caracteres SMILES

CCN=C=S

InChI

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

chave InChI

HBNYJWAFDZLWRS-UHFFFAOYSA-N

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Palavra indicadora

Danger

Classificações de perigo

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

Código de classe de armazenamento

3 - Flammable liquids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

75.2 °F - closed cup

Ponto de fulgor (°C)

24 °C - closed cup

Equipamento de proteção individual

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

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Certificados de análise (COA)

Lot/Batch Number
MKCN1597
MKCG4167
S21314V
MKBN2406V
MKBL6996V

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Pesquise por COA

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4-Methoxyphenyl isothiocyanate 98%

Sigma-Aldrich

247189

4-Methoxyphenyl isothiocyanate

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
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
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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