3-mercaptohexyl acetate

Full Material List
3-sulfanylhexyl acetate

Identifiers

CAS (Single) 136954-20-6
FEMA 3851
EINECS N/A
Synonyms
  • acetic acid 3-mercaptohex-1-yl ester
  • acetic acid 3-mercaptohexyl ester
  • 1- hexanol, 3-mercapto-, 1-acetate
  • 1- hexanol, 3-mercapto-, acetate
  • 3- mercapto-1-hexanol acetate
  • 3- mercapto-1-hexanol-1-acetate
  • 3- mercaptohex-1-yl acetate
  • 3- mercaptohexyl acetate 0.1% in ETOH natural
  • 3- mercaptohexyl acetate natural
  • 3- mercaptohexyl acetate natural 1% in ethyl alcohol
  • 3- mercaptohexyl acetate natural 1% in triacetin
  • passion fruit mercaptan acetate
  • passionfruit mercaptan acetate
  • 3- sulfanylhex-1-yl acetate
  • 3- sulfanylhexanyl acetate
  • 3- sulfanylhexyl acetate
  • 3- thiohex-1-yl acetate
  • 3- thiohexyl acetate
  • thiohexyl acetate-3 5% TRI
  • 3- thiohexyl ethanoate
JECFA Food Flavoring 554
JECFA Food Additive N/A
DG SANTE Food Flavourings 12.234 3-mercaptohexyl acetate
DG SANTE Food Contact Materials N/A
FDA UNII 2N346IQC0M
CoE Number N/A
XlogP3-AA N/A
Molecular Weight 176.27892
Molecular Formula C8 H16 O2 S

Organoleptic

Organoleptic Notes
  • 1. Odor Type: fruity Odor Strength:high ,recommend smelling in a 0.10 % solution or less
  • Substantivity:181 hour(s) at 100.00 %
  • floral fruity pear tropical passion fruit blackberry raspberry currant bud black currant bud
  • Odor Description:at 0.10 % in dipropylene glycol. floral fruity pear tropical passion fruit blackberry raspberry black currant budLuebke, William tgsc, (2017)
  • Odor sample from: R C Treatt and Co Ltd
Odor fruity
floral, fruity, pear, tropical, passion, fruit, blackberry, raspberry, currant, bud, black,
Flavor tropical
sulfurous, fruit, tropical, passion, currant, bud, black, roasted, meaty, onion, durian,

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Properties

Food Chemicals Codex Listed No
Appearance colorless clear liquid (est)
Assay N/A
Specific Gravity 0.99100 to 0.99600 @ 25.00 °C.
Lbs/Gal (est) 8.246 to 8.288
Refractive Index 1.46200 to 1.47200 @ 20.00 °C.
Melting Point N/A
Boiling Point 186.00 °C. @ 760.00 mm Hg
Flash Point 214.00 °F. TCC ( 101.11 °C. )
Acid Value 3.00 max. KOH/g
Vapor Pressure 0.049000 mmHg @ 25.00 °C. (est)
Vapor Density N/A
logP (o/w) 2.539 (est)
Soluble In
  • alcohol
  • water, 284.5 mg/L @ 25 °C (est)
  • water
Occurrence
  • passion fruit
  • wine