sec-butyl isothiocyanate

Full Material List
2-isothiocyanatobutane

Identifiers

FEMA 4419
CAS 4426-79-3
EINECS 224-609-8
Synonyms
  • butan-2-isothiocyanate
  • butane, 2-isothiocyanato-
  • butane,2-isothiocyanato-
  • 2- butyl isothiocyanate
  • 2- butylisothiocyanate
  • sec- butylisothiocyanate
  • 1- methyl propyl isothiocyanate
  • 1- methylpropyl isothiocyanate
  • 2-iso thiocyanato-butane
  • 2-iso thiocyanatobutane
  • iso thiocyanic acid 2-butyl ester
  • iso thiocyanic acid sec-butyl ester
  • iso thiocyanic acid, sec-butyl ester
JECFA Food Flavoring 1890
JECFA Food Additive N/A
DG SANTE Food Flavourings N/A
DG SANTE Food Contact Materials N/A
FDA UNII 126JI237AW
CoE Number N/A
XlogP3-AA 2.80 (est)
Molecular Weight 115.19873
Molecular Formula C5 H9 N S

Organoleptic

Organoleptic Notes
  • 1. Odor Type: green green
  • Odor Description:at 0.01 % in propylene glycol. green
  • Odor and/or flavor descriptions from others (if found).
Odor green
green,
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 0.93800 to 0.94600 @ 25.00 °C.
Lbs/Gal (est) 7.805 to 7.872
Refractive Index 1.49000 to 1.49700 @ 20.00 °C.
Melting Point N/A
Boiling Point 159.00 to 160.00 °C. @ 760.00 mm Hg
Flash Point 111.00 °F. TCC ( 43.89 °C. )
Acid Value N/A
Vapor Pressure 3.240000 mmHg @ 25.00 °C. (est)
Vapor Density N/A
logP (o/w) 2.81
Soluble In
  • alcohol
  • water, 416 mg/L @ 25 °C (est)
  • water
Occurrence
  • brassica rapa
  • broccoli asparagus broccoli plant
  • broccoli asparagus broccoli seed
  • brussel sprout seed
  • cabbage seed
  • cardamine amara
  • horseradish seed
  • lepidium latifolium
  • sisymbrium loeselii