| Identification | More | [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 Properties | Back 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 | [InChI]
InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3 | [InChIKey]
WXYAXKKXIGHXDS-UHFFFAOYSA-N | [SMILES]
C(N=C=S)CCCCC | [LogP]
3.60 | [CAS DataBase Reference]
4404-45-9(CAS DataBase Reference) |
| Safety Data | Back 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 Information | Back 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. |
|
| Company Name: |
Alfa Aesar
|
| Tel: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
|