isobutyl isothiocyanate

Full Material List
1-isothiocyanato-2-methylpropane

Identifiers

FEMA 4424
CAS 591-82-2
EINECS 209-733-2
Synonyms
  • iso butyl mustard oil
  • iso butylisothiocyanate
  • 2- methyl propyl isothiocyanate
  • 2- methylpropanisothiocyanate
  • 2- methylpropyl isothiocyanate
  • propane, 1-isothiocyanato-2-methyl-
  • propane,1-isothiocyanato-2-methyl-
  • 1-iso thiocyanato-2-methyl propane
  • 1-iso thiocyanato-2-methyl-propane
  • 1-iso thiocyanato-2-methylpropane
  • iso thiocyanic acid isobutyl ester
  • iso thiocyanic acid, isobutyl ester
JECFA Food Flavoring 1886
JECFA Food Additive N/A
DG SANTE Food Flavourings N/A
DG SANTE Food Contact Materials N/A
FDA UNII A498ZC6Z4F
CoE Number N/A
XlogP3-AA 2.80 (est)
Molecular Weight 115.19873
Molecular Formula C5 H9 N S

Organoleptic

Organoleptic Notes
Odor N/A
Flavor N/A

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Properties

Food Chemicals Codex Listed No
Appearance pale yellow to yellow clear liquid (est)
Assay 97.00 to 100.00
Specific Gravity 0.93500 to 0.94500 @ 25.00 °C.
Lbs/Gal (est) 7.780 to 7.863
Refractive Index 1.49100 to 1.49900 @ 20.00 °C.
Melting Point N/A
Boiling Point 160.00 °C. @ 760.00 mm Hg
Flash Point 75.00 °F. TCC ( 23.89 °C. )
Acid Value N/A
Vapor Pressure 4.730000 mmHg @ 25.00 °C.
Vapor Density N/A
logP (o/w) 2.82
Soluble In
  • alcohol
  • water, 407.9 mg/L @ 25 °C (est)
  • water
Occurrence
  • brassica oleracea
  • caper
  • garlic
  • garlic bulb