3-mercaptohexyl butyrate

Full Material List
3-sulfanylhexyl butanoate

Identifiers

FEMA 3852
CAS 136954-21-7
EINECS N/A
Synonyms
  • butanoic acid 3-mercaptohexyl ester
  • butanoic acid, 3-mercaptohexyl ester
  • 3- mercaptohexyl butanoate
  • 3- mercaptohexyl butyrate natural
  • 3- sulfanylhexyl butanoate
  • 3- sulfanylhexyl butyrate
  • 3- thiohexyl butanoate
  • 3- thiohexyl butyrate
JECFA Food Flavoring 555
JECFA Food Additive N/A
DG SANTE Food Flavourings 12.235 3-mercaptohexyl butyrate
DG SANTE Food Contact Materials N/A
FDA UNII RGA574NASM
CoE Number N/A
XlogP3-AA N/A
Molecular Weight 204.3328
Molecular Formula C10 H20 O2 S

Organoleptic

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

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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 0.96000 to 0.96500 @ 25.00 °C.
Lbs/Gal (est) 7.988 to 8.030
Refractive Index 1.45900 to 1.46900 @ 20.00 °C.
Melting Point N/A
Boiling Point 196.00 °C. @ 760.00 mm Hg
Flash Point > 210.00 °F. TCC ( > 98.89 °C. )
Acid Value 1.00 max. KOH/g
Vapor Pressure 0.006000 mmHg @ 25.00 °C. (est)
Vapor Density N/A
logP (o/w) 3.602 (est)
Soluble In
  • alcohol
  • heptane
  • water, 29.87 mg/L @ 25 °C (est)
  • water
Occurrence
  • passion fruit
  • passion fruit juice