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Online Edition: "Specifications for Flavourings"

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