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Online Edition: "Specifications for Flavourings"

Flavouring Hexyl 3-mercaptobutanoate
Synonym(s) 3-Mercaptobutanoic acid hexyl ester;Hexyl 3-mercaptobutyrate
Latest JECFA evaluation 2007 (Session 68)
Status of specification Full
Chemical name Hexyl 3-mercaptobutanoate
JECFA number 1704
CAS number 796857-79-9
FEMA number 4136
COE number
FLAVIS number
Molecular weight 204.33
Chemical formula C10H20O2S
Physical form/odour Almost colourless liquid; Fruit/spice/herb aroma
Solubility Sparingly soluble in water; soluble in triacetin and propylene glycol
Solubility in ethanol Soluble
Boiling point (°C) 82° (2 mm Hg)
Assay min % 98%
Acid value max
Refractive index 1.462-1.463
Specific gravity 0.949-0.954
Other requirements