3-Mercaptohexyl acetate

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

3-Mercaptohexyl acetate Chemical Properties

Boiling point	235.7±23.0 °C(Predicted)
density	0.987±0.06 g/cm3(Predicted)
FEMA	3851 \| 3-MERCAPTOHEXYL ACETATE
refractive index	1.4560 to 1.4600
storage temp.	Hygroscopic, Refrigerator, under inert atmosphere
solubility	Chloroform (Sparingly),Methanol (Slightly)
pka	10.53±0.10(Predicted)
form	Oil
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)

Safety Information

MSDS Information

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 acetate Preparation Products And Raw materials

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