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Online Edition: "Specifications for Flavourings"


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Flavouring (+/-)-Isobutyl 3-methylthiobutyrate
Synonym(s) Isobutyl 3-(methylthio)butyrate
2-Methylpropyl 3-(methylthio) butanoate
2-Methylpropyl 3-(methylthio) butyrate
Latest JECFA evaluation 2007 (Session 68)
Status of specification Full
Chemical name 2-Methylpropyl 3-(methylthio)butanoate
JECFA number 1677
CAS number 127931-21-9  
FEMA number 4150
COE number -
FLAVIS number 12.214  
Molecular weight 190.31 
Chemical formula C9H18O2S  
Physical form/odour Colourless liquid; Pungent aroma with fruity undertones 
Solubility Soluble in pentane and diethyl ether; slightly soluble in water 
Solubility in ethanol Soluble 
Boiling point (°C) 93-96°
Assay min % 97%
Acid value max -
Refractive index 1.453-1.469
Specific gravity 0.968-0.972
Other requirements -
ID Test CNMR HNMR IR MS
Spectrum http://www.fao.org/ag/agn/jecfa-flav/img/jecfa68/1677-cnmr.gif
http://www.fao.org/ag/agn/jecfa-flav/img/jecfa68/1677-hnmr.gif
http://www.fao.org/ag/agn/jecfa-flav/img/jecfa68/1677-ir.gif
http://www.fao.org/ag/agn/jecfa-flav/img/jecfa68/1677-ms.gif



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