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3-Mercaptohexyl acetate

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3-Mercaptohexyl acetate Basic information

Product Name:
3-Mercaptohexyl acetate
Synonyms:
  • HEXANE-3-THIOL ACETATE
  • FEMA 3851
  • 3-MERCAPTOHEXYL ACETATE
  • 3-THIOHEXYL ACETATE
  • 3-Sulfanylhexyl acetate
  • 3-mercaptohexyl-acetate,3-mercapto-1-hexanol-1-acetate
  • Hexane-3-thiol acetate 95%
  • 1-Hexanol, 3-mercapto-, 1-acetate
CAS:
136954-20-6
MF:
C8H16O2S
MW:
176.28
EINECS:
603-987-1
Product Categories:
  • ester Flavor
  • Aliphatics
Mol File:
136954-20-6.mol
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3-Mercaptohexyl acetate Chemical Properties

Boiling point:
235.7±23.0 °C(Predicted)
Density 
0.987±0.06 g/cm3(Predicted)
refractive index 
1.4560 to 1.4600
FEMA 
3851 | 3-MERCAPTOHEXYL ACETATE
storage temp. 
Hygroscopic, Refrigerator, under inert atmosphere
solubility 
Chloroform (Sparingly),Methanol (Slightly)
form 
Oil
pka
10.53±0.10(Predicted)
color 
Colourless
Odor
at 0.10 % in dipropylene glycol. floral fruity pear tropical passion fruit blackberry raspberry black currant bud
Odor Type
fruity
JECFA Number
554
Stability:
Hygroscopic
LogP
2.54
CAS DataBase Reference
136954-20-6(CAS DataBase Reference)
NIST Chemistry Reference
3-Mercaptohexyl acetate(136954-20-6)
EPA Substance Registry System
1-Hexanol, 3-mercapto-, 1-acetate (136954-20-6)
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Safety Information

Hazard Codes 
Xi
Hazard Note 
Irritant
HS Code 
2930909899
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3-Mercaptohexyl acetate Usage And Synthesis

Occurrence

Reported found in yellow passion fruit.

Uses

3-Sulfanylhexyl Acetate is a precursor of 3-mercaptohexan-1-ol (M225270) found in grape juice.

Definition

ChEBI: An acetate ester obtained by formal O-acetylation of 3-mercaptohexanol.

Aroma threshold values

Aroma characteristics at 0.001%: green sulfurous with a sweet meaty background, slightly caramelized onion-like and with a catty dry out.

Taste threshold values

Taste characteristics at 0.0005 ppm: sulfurous, fruity, catty, savory meaty, fried onion, with a tropical fruity catty aftertaste.

3-Mercaptohexyl acetateSupplier

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