ChemicalBook--->CAS DataBase List--->4430-39-1

4430-39-1

4430-39-1 Structure

4430-39-1 Structure
IdentificationBack Directory
[Name]

6-methylthiohexyl isothiocyanate
[CAS]

4430-39-1
[Synonyms]

6-Methylthiohexyl mustard oil
6-methylthiohexyl isothiocyanate
(6-isothiocyanatohexyl)(methyl)sulfane
Hexane, 1-isothiocyanato-6-(methylthio)-
ISOTHIOCYANATO-6-(METHYLTHIO)-HEXANE, 1-(P)
[Molecular Formula]

C8H15NS2
[MDL Number]

MFCD02874373
[MOL File]

4430-39-1.mol
[Molecular Weight]

189.34
Chemical PropertiesBack Directory
[FEMA ]

4415 | 6-(METHYLTHIO)HEXYL ISOTHIOCYANATE
[storage temp. ]

-20°C
[solubility ]

Ethanol: 10 mg/ml
[Odor]

radish
[Odor Type]

radish
[JECFA Number]

1897
[LogP]

3.20
Hazard InformationBack Directory
[Chemical Properties]

Pale yellow liquid; penetrating radish-like aroma
[Occurrence]

Reported found in horseradish
[Uses]

1-Isothiocyanato-6-(methylsulfenyl)-hexane is an analogue of Erucin (M330763), a non-competitive antagonists of the aryl hydrocarbon (Ah) receptor.
[Definition]

ChEBI: 1-isothiocyanato-6-(methylsulfanyl)hexane is a isothiocyanate that is hexane in which two of the terminal methyl hydrogens at positions 1 and 6 have been replaced by isothiocyanato and methylsulfanyl groups. It has a role as an Arabidopsis thaliana metabolite, an antineoplastic agent, an EC 4.1.1.17 (ornithine decarboxylase) inhibitor and a neuroprotective agent. It is an isothiocyanate and a methyl sulfide. It derives from a hydride of a hexane.
[Aroma threshold values]

High strength odor; recommend smelling in a 0.01% solution or less.
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