3-mercaptohexyl hexanoate

Full Material List
3-sulfanylhexyl hexanoate

Identifiers

FEMA 3853
CAS 136954-22-8
EINECS N/A
Synonyms
  • hexanoic acid, 3-mercaptohexan-1-yl ester
  • hexanoic acid, 3-mercaptohexyl ester
  • 3- mercaptohexyl caproate
  • 3- sulfanyl hexyl hexanoate
  • 3- sulfanylhexyl hexanoate
  • thiohexyl caproate
  • 3- thiohexyl caproate
JECFA Food Flavoring 556
JECFA Food Additive N/A
DG SANTE Food Flavourings 12.251 3-mercaptohexyl hexanoate
DG SANTE Food Contact Materials N/A
FDA UNII 023W2KD2VX
CoE Number N/A
XlogP3-AA N/A
Molecular Weight 232.38668
Molecular Formula C12 H24 O2 S

Organoleptic

Organoleptic Notes
  • 1. Odor Type: sulfurous fruity sulfurous tropical passion fruit
  • Odor Description:at 0.10 % in dipropylene glycol. fruity sulfurous tropical passion fruit
Odor sulfurous
fruity, sulfurous, tropical, passion, fruit,
Flavor fruity
tropical, fruity, fruit,

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Properties

Food Chemicals Codex Listed No
Appearance colorless to pale yellow clear liquid (est)
Assay 98.00 to 100.00
Specific Gravity 0.94300 to 0.94800 @ 25.00 °C.
Lbs/Gal (est) 7.847 to 7.888
Refractive Index 1.46000 to 1.47000 @ 20.00 °C.
Melting Point N/A
Boiling Point 280.00 °C. @ 760.00 mm Hg
Flash Point > 210.00 °F. TCC ( > 98.89 °C. )
Acid Value 1.00 max. KOH/g
Vapor Pressure 0.001000 mmHg @ 25.00 °C. (est)
Vapor Density N/A
logP (o/w) 4.665 (est)
Soluble In
  • alcohol
  • triacetin
  • water, 3.077 mg/L @ 25 °C (est)
  • water
Occurrence
  • passion fruit
  • passion fruit yellow