hexyl isothiocyanate

Full Material List
1-isothiocyanatohexane

Identifiers

FEMA 4422
CAS 4404-45-9
EINECS 224-549-2
Synonyms
  • hexane, 1-isothiocyanato-
  • 1- hexyl isothiocyanate
  • N- hexyl mustard
  • hexyl mustard oil
  • N- hexyl mustard oil
  • N- hexylisothiocyanate
  • 1-iso thiocyanatohexane
  • iso thiocyanic acid hexyl ester
  • iso thiocyanic acid, hexyl ester
  • 1-iso thiocyanohexane
JECFA Food Flavoring 1895
JECFA Food Additive N/A
DG SANTE Food Flavourings N/A
DG SANTE Food Contact Materials N/A
FDA UNII 2S7C3GA0Z5
CoE Number N/A
XlogP3-AA N/A
Molecular Weight 143.25261
Molecular Formula C7 H13 N S

Organoleptic

Organoleptic Notes
Odor N/A
Flavor N/A

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Properties

Food Chemicals Codex Listed No
Appearance colorless to yellow clear liquid (est)
Assay 97.00 to 100.00
Specific Gravity 0.93100 to 0.94100 @ 20.00 °C.
Lbs/Gal (est) 7.756 to 7.839
Refractive Index 1.49000 to 1.49400 @ 20.00 °C.
Melting Point N/A
Boiling Point 218.00 to 219.00 °C. @ 760.00 mm Hg
Flash Point 187.00 °F. TCC ( 86.11 °C. )
Acid Value N/A
Vapor Pressure 0.261000 mmHg @ 25.00 °C. (est)
Vapor Density N/A
logP (o/w) 3.681 (est)
Soluble In
  • alcohol
  • water, very slightly
  • water, 50.37 mg/L @ 25 °C (est)
  • water
Occurrence
  • horseradish
  • radish