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W442200 Sigma-Aldrich

Hexyl isothiocyanate

95%

Synonym: 1-Isothiocyanatohexane, n-Hexyl mustard oil

  • CAS Number 4404-45-9

  • Linear Formula CH3(CH2)5NCS

  • Molecular Weight 143.25

  •  FEMA Number 4422

  •  Beilstein/REAXYS Number 1751837

  •  EC Number 224-549-2

  •  MDL number MFCD00014445

  •  PubChem Substance ID 329830715

  •  NACRES NA.21

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Properties

Related Categories Alphabetical Listings, Flavors and Fragrances, G-H More...
biological source   synthetic
assay   95%
refractive index   n20/D 1.493 (lit.)
bp   136-138 °C/96 mmHg (lit.)
density   0.929 g/mL at 25 °C (lit.)
Documentation   see Safety & Documentation for available documents
Organoleptic   green
food allergen   no known allergens
SMILES string   CCCCCCN=C=S
InChI   1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChI key   WXYAXKKXIGHXDS-UHFFFAOYSA-N

Description

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS06  GHS06
Signal word 
Danger
Hazard statements 
RIDADR 
UN 3334
WGK Germany 
3
Flash Point(F) 
195.8 °F
Flash Point(C) 
91 °C
Protocols & Articles

Related Content

Flavors and Fragrances Quality and Regulatory

From a comprehensive vendor approval process, to the testing of raw material at receipt as well as when product is ready to be shipped; we prove our dedication to supply chain transparency, every day.
Keywords: Allergens, Food Safety, Solvents

Peer-Reviewed Papers
15

References

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