1-Isothiocyanatobutane

Modify Date: 2025-08-22 18:07:27

1-Isothiocyanatobutane Structure
1-Isothiocyanatobutane structure
 Common Name 1-Isothiocyanatobutane
CAS Number 592-82-5 Molecular Weight 115.197
Density 0.9±0.1 g/cm3 Boiling Point 168.0±0.0 °C at 760 mmHg
Molecular Formula C5H9NS Melting Point N/A
MSDS Chinese USA Flash Point 66.1±0.0 °C
Symbol GHS05 GHS07 GHS08
GHS05, GHS07, GHS08		 Signal Word Danger

 Names

Name butyl isothiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 168.0±0.0 °C at 760 mmHg
Molecular Formula C5H9NS
Molecular Weight 115.197
Flash Point 66.1±0.0 °C
Exact Mass 115.045570
PSA 44.45000
LogP 2.53
Vapour Pressure 2.2±0.3 mmHg at 25°C
Index of Refraction 1.484

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8420500
CHEMICAL NAME :
Isothiocyanic acid, butyl ester
CAS REGISTRY NUMBER :
592-82-5
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H9-N-S
MOLECULAR WEIGHT :
115.21
WISWESSER LINE NOTATION :
SCN4

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 GHS05 GHS07 GHS08
GHS05, GHS07, GHS08
Signal Word Danger
Hazard Statements H302 + H312 + H332-H314-H317-H334
Precautionary Statements P261-P280-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 C
Risk Phrases 20/21/22-34-42
Safety Phrases S23-S26-S36/37-S39-S45
RIDADR UN 1693 6.1/PG 2
WGK Germany 3
RTECS NX8420500
Packaging Group III
Hazard Class 8

 Articles10

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...

Nematicidal Activity of the Volatilome of Eruca sativa on Meloidogyne incognita.

J. Agric. Food Chem. 63 , 6120-5, (2015)

Research on new pesticides based on plant extracts, aimed at the development of nontoxic formulates, has recently gained increased interest. This study investigated the use of the volatilome of rucola...

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...

 Synonyms

Butane, 1-isothiocyanato-
MFCD00004824
BUTYL ISOTHIOCYANATE
1-Isothiocyanatobutane
EINECS 209-770-4
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