2-phenethyl isothiocyanate

Full Material List
2-isothiocyanatoethylbenzene

Identifiers

FEMA 4014
CAS 9/2/57
EINECS 218-855-5
Synonyms
  • benzene, (2-isothiocyanatoethyl)-
  • phenethyl isothiocyanate
  • 2- phenethyl isothiocyanate
  • phenethyl mustard oil
  • phenyl ethyl isothiocyanate
  • phenyl ethyl isothiocyanate synthetic
  • phenyl ethyl mustard oil
  • 2- phenylethanisothiocyanate
  • phenylethyl isothiocyanate
  • 2- phenylethyl Isothiocyanate
  • 2- phenylethylisothiocyanate
  • (2-iso thiocyanato-ethyl)-benzene
  • 2-iso thiocyanatoethyl benzene
  • (2-iso thiocyanatoethyl) benzene
  • (2-iso thiocyanatoethyl)benzene
  • 2-iso thiocyanatoethylbenzene
JECFA Food Flavoring 1563
JECFA Food Additive N/A
DG SANTE Food Flavourings 12.193 phenethyl isothiocyanate
DG SANTE Food Contact Materials N/A
FDA UNII 6U7TFK75KV
CoE Number 11495
XlogP3-AA 3.50 (est)
Molecular Weight 163.24273
Molecular Formula C9 H9 N S

Organoleptic

Organoleptic Notes
  • 1. Odor Type: sulfurous green horseradish gooseberry watercress
  • Odor Description:at 0.01 % in propylene glycol. green horseradish gooseberry watercress
  • Odor and/or flavor descriptions from others (if found).
Odor sulfurous
green, horseradish, gooseberry, watercress,
Flavor N/A

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Properties

Food Chemicals Codex Listed No
Appearance colorless to pale yellow clear liquid (est)
Assay 97.00 to 100.00
Specific Gravity N/A
Lbs/Gal (est) N/A
Refractive Index N/A
Melting Point N/A
Boiling Point N/A
Flash Point > 212.00 °F. TCC ( > 100.00 °C. )
Acid Value 1.00 max. KOH/g
Vapor Pressure 0.007000 mmHg @ 25.00 °C. (est)
Vapor Density N/A
logP (o/w) 3.47
Soluble In
  • alcohol
  • water, 110 mg/L @ 20 °C (exp)
  • heptane
  • triacetin
Occurrence
  • broccoli asparagus broccoli leaf
  • broccoli cooked broccoli
  • cabbage leaf
  • cauliflower
  • cress garden cress
  • horseradish root
  • mignonette
  • mushroom
  • mustard
  • mustard greens seed
  • papaya mountain papaya
  • radish
  • reseda root
  • rutabaga
  • turnup
  • wasabi
  • watercress herb
  • watercress plant