1-Isothiocyanatobutane
Names
[ CAS No. ]:
592-82-5
[ Name ]:
1-Isothiocyanatobutane
[Synonym ]:
Butane, 1-isothiocyanato-
MFCD00004824
BUTYL ISOTHIOCYANATE
1-Isothiocyanatobutane
EINECS 209-770-4
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
MSDS
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
[ 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
Precursor & DownStream
Precursor
DownStream
Articles
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...