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Online Edition: "Specifications for Flavourings"

Flavouring Isophorone
Synonym(s) 1,5,5-Trimethyl-3-oxocyclohexene;Isoacetophoron;1,3,3-Trimethylcylohexen-5-one
Latest JECFA evaluation 2002 (Session 59)
Status of specification Full
Chemical name 3,5,5-Tetramethylcyclohex-2-en-1-one
JECFA number 1112
CAS number 78-59-1
FEMA number 3553
COE number 11918
FLAVIS number
Molecular weight 138.21
Chemical formula C9H14O
Physical form/odour Clear colourless liquid; peppermint-like odour
Solubility slightly soluble in water; soluble in ether and acetone
Solubility in ethanol Miscible at room temperature
Boiling point (°C) 213-215°
Assay min % 97%
Acid value max 1
Refractive index 1.474-1.481
Specific gravity 0.919-0.927
Other requirements
ID Test NMR
Spectrum