ChemicalBook Product Catalog Chemical Reagents Organic reagents Thiocyanate / isothiocyanate Ethyl isothiocyanate

Ethyl isothiocyanate

Ethyl isothiocyanate Basic information
Product Name:Ethyl isothiocyanate
Synonyms:ethyl isorhodanate;ethyl isorhodanide;ethyl isosulfocyanide;ethyl isothiocyanide;Ethyl isothiocyanate,96%;Ethyl isothiocyanate,99+%;Ethyl senfoel;Ethyl isothiocyanate, 96% 25GR
CAS:542-85-8
MF:C3H5NS
MW:87.14
EINECS:208-831-2
Product Categories:Armoracia rusticana (Horseradish);Building Blocks;Chemical Synthesis;Nutrition Research;Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates;Sulfur Compounds
Mol File:542-85-8.mol
Ethyl isothiocyanate Structure
Ethyl isothiocyanate Chemical Properties
Melting point -6 °C
Boiling point 130-132 °C(lit.)
density 0.995 g/mL at 25 °C(lit.)
vapor pressure 15.199hPa at 25℃
FEMA 4420 | ETHYL ISOTHIOCYANATE
refractive index n20/D 1.512(lit.)
Fp 90 °F
storage temp. Keep in dark place,Inert atmosphere,2-8°C
solubility Chloroform (Sparingly), Ethyl Acetate (Soluble)
form Liquid
color Clear colorless to slightly yellow
Specific Gravity0.995
PH6.3 (H2O, 20℃)
Odorat 0.01 % in propylene glycol. pungent mustard garlic
Odor Typepungent
Water Solubility Reacts with water. Soluble in chlorinated and aromatic hydrocarbons. Miscible in ethanol and ether.
Sensitive Moisture Sensitive
Merck 14,3815
JECFA Number1885
BRN 1737705
Stability:Air Sensitive, Hygroscopic, Moisture Sensitive, Volatile
LogP1.47 at 25℃ and pH7
CAS DataBase Reference542-85-8(CAS DataBase Reference)
EPA Substance Registry SystemEthane, isothiocyanato- (542-85-8)
Safety Information
Hazard Codes T,N,F
Risk Statements 10-23/24/25-34-42/43-50-36/37
Safety Statements 23-26-36/37/39-45-61-16-7/9
RIDADR UN 3286 3/PG 2
WGK Germany 3
RTECS NX8590000
TSCA Yes
HazardClass 6.1
PackingGroup II
HS Code 29309090
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
Ethyl isothiocyanate Usage And Synthesis
Chemical Propertiesclear colorless to slightly yellow liquid
Chemical PropertiesColorless liquid; sharp, mustard-like aroma.
OccurrenceReported found in horseradish
UsesIt is used as a pharmaceutical intermediate.
UsesMilitary poison gas.
DefinitionChEBI: An isothiocyanate having an ethyl group attached to the nitrogen.
Aroma threshold valuesHigh strength odor, recommend smelling in a 0.01% solution or less
Ethyl isothiocyanate Preparation Products And Raw materials
Preparation ProductsCefotiam-->Thiourea, N-ethyl-N'-methyl--->ETHYL ISOCYANIDE-->4-ETHYL-3-THIOSEMICARBAZIDE-->Ethylthiocyanate-->1-ETHYL-3-PHENYL-2-THIOUREA-->N,N'-Diethylthiourea-->1,2,3,4-Thiatriazol-5-amine, N-ethyl--->3H-1,2,4-Triazole-3-thione, 5-amino-4-ethyl-2,4-dihydro--->1-ETHYL-1H-IMIDAZOLE-2-THIOL-->AKOS B029106-->4-ETHYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL-->4-ETHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
CYCLOHEXYL ISOTHIOCYANATE PROPYL ISOTHIOCYANATE TRITYL ISOTHIOCYANATE BENZYL ISOTHIOCYANATE ISOBUTYL ISOTHIOCYANATE Phenethyl isothiocyanate HEXYL ISOTHIOCYANATE 3-(ISOTHIOCYANATOMETHYL)-2,2,5,5-TETRAMETHYL-1-PYRROLIDINYLOXY PENTYL ISOTHIOCYANATE 4-ISOTHIOCYANATO-2,2,6,6-TETRAMETHYLPIPERIDINE 1-OXYL 3,5,5-TRIMETHYLCYCLOHEXYL ISOTHIOCYANATE 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL TERT-OCTYL ISOTHIOCYANATE Ethyl isothiocyanate 2-FURFURYL ISOTHIOCYANATE Allyl isothiocyanate Butyl isothiocyanate TERT-BUTYL ISOTHIOCYANATE
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