Food safety and quality: details

Flavouring	Allyl thiohexanoate
Synonym(s)	2-(Allylsulfanyl)-1-heptene hydrate;Hexanethioic acid, S-2-propenyl ester
Latest JECFA evaluation	2007 (Session 68)
Status of specification	Full
Information required
Chemical name	Allyl butanethioate
JECFA number	1681
CAS number	156420-69-8
FEMA number	4076
COE number
FLAVIS number	12.275
Molecular weight	172.29
Chemical formula	C9H16OS
Physical form/odour	Clear, colourless liquid; Fruity, sulphureous aroma
Solubility	Soluble in heptane and triacetin; insoluble in water
Solubility in ethanol	Soluble
Boiling point (°C)	195-196°
Assay min %	99%
Acid value max
Refractive index	1.473-1.479
Specific gravity	0.930-0.934
Other requirements
ID Test	HNMR IR MS
Spectrum