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W401404 Sigma-Aldrich

2-Phenylethyl isothiocyanate


Synonym: 2-Phenylethyl isothiocyanate, Phenethyl isothiocyanate

  • CAS Number 2257-09-2

  • Linear Formula C6H5CH2CH2NCS

  • Molecular Weight 163.24

  •  FEMA Number 4014

  •  Beilstein Registry Number 2084162

  •  EC Number 218-855-5

  •  MDL number MFCD00004821

  •  PubChem Substance ID 24901970

  •  Flavis number 12.193



Related Categories Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines, Halal Certified Products,
biological source   synthetic
grade   FG
  follows IFRA guidelines
reg. compliance   EU Regulation 1223/2009
  EU Regulation 1334/2008 & 178/2002
refractive index   n20/D 1.5888(lit.)
bp   139-140 °C/11 mmHg(lit.)
density   1.094 g/mL at 25 °C(lit.)
Documentation   see Safety & Documentation for available documents
Organoleptic   green; sulfurous
food allergen   no known allergens
fragrance allergen   no known allergens
Gene Information   human ... CYP1A2(1544)


General description

2-Phenylethyl isothiocyanate (2-PE ITC) is a bioactive isothiocyanate mainly found in Brassica vegetables. It is produced by the enzymatic hydrolysis of 2-phenylethyl glucosinolate. 2-PE ITC is the main compound responsible for the nematicidal effect of Brassica root tissues against (Pratylenchus neglectus Filipjev), a root-lesion nematode. This ability makes it a promising candidate for the development of soil fumigants.

Other Notes

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Protocols & Articles


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Keywords: Food & Beverage, Food Safety, Solvents

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