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HomeProduct name list3-Mercaptohexyl acetate

3-Mercaptohexyl acetate

  • CAS NO.:136954-20-6
  • Empirical Formula: C8H16O2S
  • Molecular Weight: 176.28
  • MDL number: MFCD00792516
  • EINECS: 603-987-1
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-07-15 16:45:23
3-Mercaptohexyl acetate Structural

What is 3-Mercaptohexyl acetate?

Occurrence

Reported found in yellow passion fruit.

The Uses of 3-Mercaptohexyl acetate

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

What are the applications of Application

3-Mercaptohexyl acetate is a 3-mercaptohexanol precursor

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.

Properties of 3-Mercaptohexyl acetate

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
JECFA Number 554
Stability: Hygroscopic
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 for 3-Mercaptohexyl acetate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

Computed Descriptors for 3-Mercaptohexyl acetate

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