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ChemicalBook--->CAS DataBase List--->18060-79-2

18060-79-2

18060-79-2 Structure

18060-79-2 Structure
IdentificationBack Directory
[Name]

ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER
[CAS]

18060-79-2
[Synonyms]

4-PENTENYLISOTHIOCYANATE
5-Isothiocyanato-1-pentene
1-Pentene, 5-isothiocyanato-
4-PENTEN-1-YL ISOTHIOCYANATE
Isothiocyanicacidpentenylester, 95%
ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER
ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER 95+%
4-pentenylisothiocyanate,5-isothiocyano-1-pentene,4-pentenylesterisothiocyanicacid
[Molecular Formula]

C6H9NS
[MDL Number]

MFCD00191527
[MOL File]

18060-79-2.mol
[Molecular Weight]

127.21
Chemical PropertiesBack Directory
[Boiling point ]

194 °C
[density ]

0.97
[FEMA ]

4427 | 4-PENTENYL ISOTHIOCYANATE
[refractive index ]

1.5150-1.5190
[storage temp. ]

Hygroscopic, Refrigerator, Under inert atmosphere
[solubility ]

Chloroform (Soluble), Hexanes (Slightly)
[form ]

Oil
[color ]

Colourless
[Odor]

at 0.01 % in propylene glycol. mustard horseradish
[Odor Type]

mustard
[JECFA Number]

1893
[Stability:]

Hygroscopic, Moisture Sensitive
[LogP]

2.69
Safety DataBack Directory
[Risk Statements ]

36
[Safety Statements ]

26
[RIDADR ]

1992
[HazardClass ]

3/6.1
[PackingGroup ]

III
[HS Code ]

2930909899
Hazard InformationBack Directory
[Chemical Properties]

Colorless to pale yellow liquid; strong, pungent, irritating aroma.
[Occurrence]

Reported found in mustard oil.
[Definition]

ChEBI: 5-isothiocyanato-1-pentene is an isothiocyanate.
[Aroma threshold values]

Very high strength odor; recommend smelling in a 0.01% solution or less.
Spectrum DetailBack Directory
[Spectrum Detail]

ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER(18060-79-2)MS
ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER(18060-79-2)1HNMR
ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER(18060-79-2)13CNMR
ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER(18060-79-2)IR1
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