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Online Edition: "Specifications for Flavourings"

Flavouring 3-Mercaptohexyl acetate
Synonym(s) 3-Thiohexyl ethanoate;3-Thiohexyl acetate
Latest JECFA evaluation 1999 (Session 53)
Status of specification Full
Chemical name 3-Mercaptohexyl acetate
JECFA number 554
CAS number 136954-20-6
FEMA number 3851
COE number
FLAVIS number
Molecular weight 176.28
Chemical formula C8H16O2S
Physical form/odour clear liquid
Solubility insoluble in water; soluble in ethanol and heptane
Solubility in ethanol
Boiling point (°C) 186°
Assay min % 81.7%
Acid value max
Refractive index 1.462-1.472
Specific gravity 0.991-0.996
Other requirements Also contains min. 8.2% 3-Mercaptohexanol and 9.7% 3-Acetylmercaptohexyl acetate
ID Test IR, MS, NMR
Spectrum