Isothiocyanatoethane

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
131.3±3.0 °C at 760 mmHg

[ Melting Point ]:
-6 °C

[ Molecular Formula ]:
C₃H₅NS

[ Molecular Weight ]:
87.144

[ Flash Point ]:
32.2±0.0 °C

[ Exact Mass ]:
87.014267

[ PSA ]:
44.45000

[ LogP ]:
1.47

[ Vapour Pressure ]:
11.5±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.486

[ Storage condition ]:
Flammables area

Click to get detail MSDS

CHEMICAL IDENTIFICATION

RTECS NUMBER :

NX8590000

CHEMICAL NAME :

Isothiocyanic acid, ethyl ester

CAS REGISTRY NUMBER :

542-85-8

LAST UPDATED :

199701

DATA ITEMS CITED :

2

[ Symbol ]:

GHS02, GHS05, GHS06, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H301-H311-H314-H331-H334-H400

[ Precautionary Statements ]:
P261-P273-P280-P301 + P310-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R10;R23/24/25;R34

[ Safety Phrases ]:
S23-S26-S36/37/39-S45-S61

[ RIDADR ]:
UN 3286 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
NX8590000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Click to get detail synthetic route

Precursor

DownStream

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

In vitro metabolic conversion of the organic breakdown products of glucosinolate to goitrogenic thiocyanate anion.

J. Sci. Food Agric. 95 , 2244-51, (2015)

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 stu...

Enhanced in vitro biological activity of synthetic 2-(2-pyridyl) ethyl isothiocyanate compared to natural 4-(methylsulfinyl) butyl isothiocyanate.

J. Med. Chem. 55(22) , 9682-92, (2012)

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...

Metabolism of some naturally occurring isothiocyanates in the rat.

Xenobiotica 13(4) , 203-7, (1983)

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 thei...

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