Isothiocyanatoethane

Modify Date: 2025-08-21 17:34:59

Isothiocyanatoethane Structure
Isothiocyanatoethane structure
 Common Name Isothiocyanatoethane
CAS Number 542-85-8 Molecular Weight 87.144
Density 0.9±0.1 g/cm3 Boiling Point 131.3±3.0 °C at 760 mmHg
Molecular Formula C3H5NS Melting Point -6 °C
MSDS Chinese USA Flash Point 32.2±0.0 °C
Symbol GHS02 GHS05 GHS06 GHS08 GHS09
GHS02, GHS05, GHS06, GHS08, GHS09		 Signal Word Danger

 Names

Name ethyl isothiocyanate
Synonym More Synonyms

 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

 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
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

 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%

 Articles5

More 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...

 Synonyms

EINECS 208-831-2
Ethane, isothiocyanato-
MFCD00004820
Isothiocyanatoethane
Ethyl isothiocyanate
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