ChemicalBook--->CAS DataBase List--->4404-45-9

4404-45-9

4404-45-9 Structure

4404-45-9 Structure
IdentificationMore
[Name]

HEXYL ISOTHIOCYANATE
[CAS]

4404-45-9
[Synonyms]

HEXYL ISOTHIOCYANATE
N-HEXYL ISOTHIOCYANATE
1-Isothiocyanatohexane
Hexane, 1-isothiocyanato-
Isothiocyanic acid, hexyl ester
1-Hexyl isothiocyanate
1-Isothiocyanatohexane, n-Hexyl mustard oil
[EINECS(EC#)]

224-549-2
[Molecular Formula]

C7H13NS
[MDL Number]

MFCD00014445
[Molecular Weight]

143.25
[MOL File]

4404-45-9.mol
Chemical PropertiesBack Directory
[Melting point ]

83 °C
[Boiling point ]

136-138 °C/96 mmHg (lit.)
[density ]

0.933 g/mL at 25 °C(lit.)
[FEMA ]

4422 | HEXYL ISOTHIOCYANATE
[refractive index ]

n20/D 1.491(lit.)
[Fp ]

195 °F
[Odor]

sharp green
[Odor Type]

green
[Sensitive ]

Moisture Sensitive
[JECFA Number]

1895
[BRN ]

1751837
[LogP]

3.60
[CAS DataBase Reference]

4404-45-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

2810
[WGK Germany ]

3
[F ]

10-21
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309090
Hazard InformationBack Directory
[Chemical Properties]

: Colorless to yellow liquid; sharp green, irritating aroma
[Occurrence]

Reported found in horseradish and radish
[Uses]

Hexyl isothiocyanate may be used as a starting reagent in the synthesis of hexyl isocyanate.
[Aroma threshold values]

High strength odor, recommend smelling in a 0.01% solution or less
[General Description]

Hexyl isothiocyanate (n-hexyl isothiocyanate) is an isothiocyanate derivative. It has been identified as one of the components present in the oil extracted from the Cruciferae family. On heating the mixture of n-hexyl isothiocyanate and m-chlorophenyl isothiocyanate in the temperature range of 190-230°C, n-hexyl isocyanate is obtained.
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Hexyl isothiocyanate, 97%(4404-45-9)
[Alfa Aesar]

1-Hexyl isothiocyanate, 97%(4404-45-9)
[Sigma Aldrich]

4404-45-9(sigmaaldrich)
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