benzyl isothiocyanate

Full Material List
isothiocyanatomethylbenzene

Identifiers

FEMA 4428
CAS 622-78-6
EINECS 210-753-9
Synonyms
  • benzene, (isothiocyanatomethyl)-
  • benzyl isothio cyanate
  • benzyl mustard
  • benzyl mustard oil
  • benzylisothiocyanate
  • phenylmethanisothiocyanate
  • phenylmethyl isothiocyanate
  • iso thiocyanatomethyl-benzene
  • (iso thiocyanatomethyl) benzene
  • (iso thiocyanatomethyl)benzene
  • (iso thiocyanatomethyl)benzol
  • iso thiocyanatomethylbenzene
  • a-iso thiocyanatotoluene
  • alpha-iso thiocyanatotoluene
  • iso thiocyanic acid benzyl ester
  • iso thiocyanic acid, benzyl ester
  • toluene, a-isothiocyanato-
  • tromacaps
  • tromalyt
  • urogran
JECFA Food Flavoring 1562
JECFA Food Additive N/A
DG SANTE Food Flavourings 12.102 benzyl isothiocyanate
DG SANTE Food Contact Materials N/A
FDA UNII 871J6YOR8Q
CoE Number 11863
XlogP3-AA 3.20 (est)
Molecular Weight 149.21579
Molecular Formula C8 H7 N S

Organoleptic

Organoleptic Notes
  • 1. Odor Type: watercress Odor Strength:medium ,recommend smelling in a 1.00 % solution or less
  • Substantivity:15 hour(s) at 0.10 % in dipropylene glycol
  • watercress dusty medicinal horseradish oily
  • Odor Description:at 0.10 % in dipropylene glycol. mild watercress dusty medicinal horseradish oilyLuebke, William tgsc, (2008)
  • Odor sample from: Sigma-Aldrich
Odor watercress
watercress, dusty, medicinal, horseradish, oily,
Flavor spicy
spicy, green, plastic, horseradish, watercress, nasturtium, capers,

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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 1.12100 to 1.12700 @ 25.00 °C.
Lbs/Gal (est) 9.328 to 9.378
Refractive Index 1.60000 to 1.60600 @ 20.00 °C.
Melting Point 41.00 °C. @ 760.00 mm Hg
Boiling Point 242.00 to 243.00 °C. @ 760.00 mm Hg
Flash Point 212.00 °F. TCC ( 100.00 °C. )
Acid Value 1.00 max. KOH/g
Vapor Pressure 0.020000 mmHg @ 20.00 °C.
Vapor Density N/A
logP (o/w) 3.16
Soluble In
  • alcohol
  • water, 109 mg/L @ 25 °C (exp)
Occurrence
  • allamanda cathartica linn. flower oil brazil @ 8.70%
  • cabbage leaf
  • cress common cress plant
  • cress garden cress plant
  • cress indian cress
  • marango root
  • moringa root
  • onion bulb
  • papaya fruit
  • papaya seed
  • watercress