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Online Edition: "Specifications for Flavourings"


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Flavouring Phenethyl isothiocyanate
Synonym(s) Isothiocyanic acid, phenethyl ester
beta-Phenethyl isothiocyanate
2-Phenylethyl isothiocyanate
Latest JECFA evaluation 2005 (Session 65)
Status of specification Full
Chemical name Phenethyl isothiocyanate
JECFA number 1563
CAS number 2257-09-2  
FEMA number 4014
COE number -
FLAVIS number 12.193  
Molecular weight 163.24 
Chemical formula C9H9NS  
Physical form/odour Nearly Colourless liquid; Strong green irritating aroma 
Solubility Insoluble in water; Soluble in triacetin and heptane 
Solubility in ethanol Soluble 
Boiling point (°C) 139-140°
Assay min % 99%
Acid value max 1
Refractive index 1.586-1.590
Specific gravity 1.087-1.097
Other requirements -
ID Test HNMR IR MS
Spectrum http://www.fao.org/ag/agn/jecfa-flav/img/img/1563-hnmr.gif
http://www.fao.org/ag/agn/jecfa-flav/img/img/1563-ir.gif
http://www.fao.org/ag/agn/jecfa-flav/img/img/1563-ms.gif



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