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ChemicalBook--->CAS DataBase List--->3386-97-8

3386-97-8

3386-97-8 Structure

3386-97-8 Structure
IdentificationBack Directory
[Name]

ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER
[CAS]

3386-97-8
[Synonyms]

3-Butanylisothiocyanate
3-BUTENYL ISOTHIOCYANATE
1-BUTENE-4-ISOTHIOCYANATE
4-Isothiocyanato-1-butene
4-isothiocyanatobut-1-ene
3-BUTEN-1-YL ISOTHIOCYANATE
1-Butene, 4-isothiocyanato-
3-Buten-1-ylIsothiocyanate>
4-Isothiocyanato-1-butene, 95+%
ISOCYANIC ACID 3-BUTEN-1-YL ESTER
Isothiocyanic acid, 3-butenyl ester
ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER
[EINECS(EC#)]

222-209-8
[Molecular Formula]

C5H7NS
[MDL Number]

MFCD00191660
[MOL File]

3386-97-8.mol
[Molecular Weight]

113.18
Chemical PropertiesBack Directory
[Boiling point ]

77 °C / 21mmHg
[density ]

0.99
[FEMA ]

4418 | 3-BUTENYL ISOTHIOCYANATE
[refractive index ]

1.5210 to 1.5240
[solubility ]

Acetonitrile (Slightly), Chloroform (Soluble), Dichloromethane (Slightly), Metha
[form ]

clear liquid
[color ]

Colorless to Light orange to Yellow
[Odor]

aromatic pungent
[JECFA Number]

1889
[Stability:]

Light Sensitive, Volatile
[LogP]

2.64
Safety DataBack Directory
[Risk Statements ]

36
[Safety Statements ]

26
[RIDADR ]

UN 1992 3/6.1/PG III
[HazardClass ]

3/6.1
[PackingGroup ]

III
[HS Code ]

2930909899
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid; penetrating aroma.
[Occurrence]

Reported found in horseradish, mustard, and wasabi.
[Uses]

3-Butenyl isothiocyanate is a useful building block and has been proposed to have demonstrated anticancer effects in colorectal cancer, however little is known about their effect in colorectal cancers and tumor initiation properties.
[Definition]

ChEBI: 4-isothiocyanato-1-butene is an isothiocyanate.
[Aroma threshold values]

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