ChemicalBook--->CAS DataBase List--->4430-36-8

4430-36-8

4430-36-8 Structure

4430-36-8 Structure
IdentificationBack Directory
[Name]

ERUCIN
[CAS]

4430-36-8
[Synonyms]

ERUCIN
ERUCIN(RG)(CALL)
DELTA 13 CIS TRIDOCOSENOIN
4-(METHYLTHIO)BUTYLISOTHIOCYANATE
1-isothiocyanato-4-(methylthio)butane
(4-isothiocyanatobutyl)(methyl)sulfane
1-isothiocyanato-4-methylsulfanylbutane
1-isothiocyanato-4-methylsulfanyl-butane
4-(Methylthiol)-1-(isothiocyanato)butane
Butane, 1-isothiocyanato-4-(Methylthio)-
4-Methylsulfanyl-butyl isothiocyanate 1-Isotiocyanato-4-methylsulfanyl-butane
erucin,1-isothiocyanato-4-(methylthio)-butane,4-methylthiobutylisothiocyanate
4-Methylsulfanyl-butyl isothiocyanate 1-Isotiocyanato-4-Methylsulfanyl-butane Erucin
[Molecular Formula]

C6H11NS2
[MDL Number]

MFCD00674799
[MOL File]

4430-36-8.mol
[Molecular Weight]

161.29
Chemical PropertiesBack Directory
[Appearance]

Red-Brown Liquid
[Melting point ]

50 °C
[Boiling point ]

90-92°C/0.6 Torr
[density ]

1.03±0.1 g/cm3(Predicted)
[FEMA ]

4414 | 4-(METHYLTHIO)BUTYL ISOTHIOCYANATE
[storage temp. ]

-20°C Freezer, Under Inert Atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless to Brown
[Odor]

at 0.01 % in propylene glycol. cabbage radish
[Odor Type]

cabbage
[JECFA Number]

1892
[InChI]

InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
[InChIKey]

IHQDGXUYTSZGOG-UHFFFAOYSA-N
[SMILES]

C(N=C=S)CCCSC
[LogP]

2.39
Hazard InformationBack Directory
[Chemical Properties]

Red-Brown Liquid
[Occurrence]

Reported found in broccoli, brussel sprouts and cabbage
[Uses]

4-(Methylthiol)-1-(isothiocyanato)butane is a non-competitive antagonists of the aryl hydrocarbon (Ah) receptor.
[Definition]

ChEBI: Erucin is an isothiocyanate.
[Aroma threshold values]

High strength odor; recommend smelling in a 0.01% solution or less
[Biological Activity]

Erucin (MTBITC) is an orally availablehydrogen sulfide (H2S)-releasing isothiocyanate (ITC) derived from glucoerucin found in the Brassicaceae family of plants (rocket salads)including arugula (Eruca sativa Mill.). Erucin is also formed in vivo through the reduction of sulforaphanean ITC found in broccoli. Erucin displays neuroprotectiveantioxidantand anticancer efficacy in vitro and in vivo by inducing intracellular reactive oxygen species (ROS) production and Nrf2 activaiton.
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Spectrum DetailBack Directory
[Spectrum Detail]

ERUCIN(4430-36-8)1HNMR
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