Isothiocyanatoethane

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Names

[ CAS No. ]:
542-85-8

[ Name ]:
Isothiocyanatoethane

[Synonym ]:
EINECS 208-831-2
Ethane, isothiocyanato-
MFCD00004820
Isothiocyanatoethane
Ethyl isothiocyanate

Chemical & Physical Properties

[ 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

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8590000
CHEMICAL NAME :
Isothiocyanic acid, ethyl ester
CAS REGISTRY NUMBER :
542-85-8
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C3-H5-N-S
MOLECULAR WEIGHT :
87.15
WISWESSER LINE NOTATION :
SCN2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
100 ug/plate
REFERENCE :
ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 44,3017,1980

Safety Information

[ 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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiophosgene
  • Ethylamine
  • Carbon disulphide
  • N-Ethyl-O-methyl Acetimidate
  • isobutyl ethylcarbamodithioate
  • butyl N-ethylcarbamodithioate
  • dodecyl ethylcarbamodithioate
  • N1,N3-diethyl-N1-nitrosothiourea
  • Carbamodithioic acid,N-ethyl-, sodium salt (1:1)

DownStream

  • 3-ethyl-6-iodo-2-sulfanylidene-1H-quinazolin-4-one
  • hydrogen sulfide
  • Ethylamine
  • methylamine
  • 1-ethyl-3-pyridin-3-ylthiourea
  • 2-Ethylaminothiophene
  • carbonyl sulfide
  • Thiourea,N,N,N'-triethyl-
  • 1-benzyl-3-ethylthiourea
  • Urea, 1-ethyl-3-phenyl-2-thio-

Customs

[ 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%

Articles

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...


More Articles

Related Compounds

  • 1-bromo-2-isothiocyanatoethane
  • 1-ethoxy-1-isothiocyanatoethane
  • 1-chloro-2-isothiocyanatoethane
  • 1-ethenoxy-2-isothiocyanatoethane
  • 1,1'-Thiobis(2-isothiocyanatoethane)
  • 1,1,1-trifluoro-2-isothiocyanatoethane
  • (E)-N-((1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)-3-(thiophen-3-yl)acrylamide
  • 2-(3,5-dimethylisoxazol-4-yl)-N-((1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)acetamide
  • 2-(2-chloro-6-fluorophenyl)-N-((1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)acetamide
  • (E)-3-(furan-3-yl)-N-((1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)acrylamide
  • Tert-butyl (4-(2-nitrophenylcarbonylamino)-3-trifluoromethylphenyl)carbamate
  • 2-cyclopropyl-N-((1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)acetamide
  • 1-(((1-Hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)amino)-2-methyl-1-oxopropan-2-yl acetate
  • N-((1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)-3,5-dimethylisoxazole-4-carboxamide
  • N-((1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
  • N-((1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
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