Molekula Hexyl isothiocyanate
Specification & product details.
Hexyl isothiocyanate is an organic compound with a strong mustard-like odor, primarily used in flavor and fragrance applications, as well as a chemical…
CAS number: 4404-45-9
Select the required pack size. Contact Bench & Flask for bulk quantities and availability.
Supplier packaging image is illustrative; packaging may vary by pack size.
Specifications
| Property | Value |
| Appearance | Colourless to light yellow liquid |
| Assay | >97% |
Storage & handling
| Property | Value |
| Storage Temperature | Ambient |
| Flash Point | 91 °C |
| Transport Class | 6.1 |
| Packing Group | III |
| Acidity | Acid |
Literature values
Published physical properties of the substance, not batch specifications.
| Property | Value |
| Boiling Point | 218 to 219 °C at 760 mmHg |
| Solubility (other solvents) | Very slightly soluble in water; freely soluble in ether |
Identification
| Property | Value |
| SKU | 12971778 |
| CAS Number | 4404-45-9 |
| IUPAC Name | 1-isothiocyanatohexane |
| EC Number | 224-549-2 |
| Molecular Formula | C7H13NS |
| Molecular Weight | 143.25 |
| Exact Mass | 143.0769 |
| SMILES | CCCCCCN=C=S |
| InChIKey | WXYAXKKXIGHXDS-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3 |
| PubChem CID | 78120 |
| UN Number | UN2810 |
| REACH Code | Y110 |
| HTS Code | 2930904950 |
| Tariff Code | 2930909599 |
Safety & GHS
Danger
- ToxicGHS06
- Health HazardGHS07
Hazard statements
- H301 + H311 + H331Toxic if swallowed, in contact with skin or if inhaled
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P260Do not breathe dust/fume/gas/mist/vapours/spray
- P280Wear protective gloves/protective clothing/eye protection/face protection
- P301+310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
- P302+352IF ON SKIN: Wash with soap and water
- P305+351+338IF IN EYES: Rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing
- P307+311IF exposed: Call a POISON CENTER or doctor/physician
\\
\\
\\
\\
\\
\\
Alternative names
1-Hexyl isothiocyanate; 1-Isothiocyanatohexane; FEMA NO. 4422; Hexane, 1-isothiocyanato-; hexanisothiocyanate; HEXYL ISOTHIOCYANATE, 1-; Isothiocyanic acid, hexyl ester; n-Hexyl isothiocyanate; WXYAXKKXIGHXDS-UHFFFAOYSA-N
Product documentation
Product specification PDF. Batch-specific certificates of analysis and safety data sheets are available on request.
Buying for a laboratory, university or organisation?
Ask about quotations, larger quantities, recurring supply and professional accounts.