HEXYL ISOTHIOCYANATE
Synonym(s):n-Hexyl mustard oil;1-Isothiocyanatohexane
- CAS NO.：4404-45-9
- Empirical Formula: C7H13NS
- Molecular Weight: 143.25
- MDL number: MFCD00014445
- EINECS: 224-549-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:16:51
What is HEXYL ISOTHIOCYANATE?
Chemical properties
: Colorless to yellow liquid; sharp green, irritating aroma
Occurrence
Reported found in horseradish and radish
The Uses of HEXYL ISOTHIOCYANATE
Hexyl isothiocyanate may be used as a starting reagent in the synthesis of hexyl isocyanate.
What are the applications of Application
Hexyl isothiocyanate is an organic building block
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.
Properties of HEXYL ISOTHIOCYANATE
| Melting point: | 83 °C |
| Boiling point: | 136-138 °C/96 mmHg (lit.) |
| Density | 0.929 g/mL at 25 °C (lit.) |
| refractive index | n |
| FEMA | 4422 | HEXYL ISOTHIOCYANATE |
| Flash point: | 195 °F |
| Odor | sharp green |
| Sensitive | Moisture Sensitive |
| JECFA Number | 1895 |
| BRN | 1751837 |
| CAS DataBase Reference | 4404-45-9(CAS DataBase Reference) |
Safety information for HEXYL ISOTHIOCYANATE
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for HEXYL ISOTHIOCYANATE
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