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Home > Encyclopedia > 3-(Methylthio)hexyl acetate

3-(Methylthio)hexyl acetate

3-(Methylthio)hexyl acetate structure

3-(Methylthio)hexyl acetate 

structure
  • CAS No:

    51755-85-2

  • Formula:

    C9H18O2S

  • Chemical Name:

    3-(Methylthio)hexyl acetate

  • Synonyms:

    1-Hexanol,3-(methylthio)-,1-acetate;1-Hexanol,3-(methylthio)-,acetate;3-(Methylthio)hexyl acetate

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

colourless liquid


(S)-3-Methylthiohexyl acetate is a carboxylic ester.

3-(Methylthio)hexyl acetate Basic Attributes

190.3

190.30

Characteristics

51.6

2.47130

0.976 g/cm3

216 °C

76 °C

1.464

soluble in water and fat

Safety Information

UN 3334

3

38

26-36

Xi

P264, P280, P302+P352, P321, P332+P313, P362

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|Aggregated GHS information provided by 128 companies from 3 notifications to the ECHA C&L Inventory.

3-(Methylthio)hexyl acetate Use and Manufacturing

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents

Computed Properties

Molecular Weight:190.31
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:190.10275099
Monoisotopic Mass:190.10275099
Topological Polar Surface Area:51.6
Heavy Atom Count:12
Complexity:126
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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