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Home > Encyclopedia > 3-methylsulfanylpropyl 2-sulfanylacetate

3-methylsulfanylpropyl 2-sulfanylacetate

3-methylsulfanylpropyl 2-sulfanylacetate structure

3-methylsulfanylpropyl 2-sulfanylacetate 

structure
  • CAS No:

    852997-30-9

  • Formula:

    C6H12O2S2

  • Chemical Name:

    3-methylsulfanylpropyl 2-sulfanylacetate

  • Synonyms:

    FEMA No. 4561; Acetic acid,2-mercapto-,3-(methylthio)propyl ester; UNII-3RI9Z9IR02; 3-(Methylsulfanyl)propyl sulfanylacetate acetic acid,mercapto-,3-(methylthio)propyl ester; Acetic acid,mercapto-,3-(methylthio)propyl ester; 3-(METHYLTHIO)PROPYL MERCAPTOACETATE;Expand

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

Description

Clear colourless to yellow liquid; Strong sweet onion-like aroma

3-methylsulfanylpropyl 2-sulfanylacetate Basic Attributes

180.28800

180.02787197

3RI9Z9IR02

DTXSID50234499

Characteristics

90.40000

1.21250

1.133g/cm3

284.73ºC at 760 mmHg

126.001ºC

1.509

Practically insoluble or insoluble in water|Soluble (in ethanol)

3-methylsulfanylpropyl 2-sulfanylacetate Use and Manufacturing

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:180.3
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:180.02787197
Monoisotopic Mass:180.02787197
Topological Polar Surface Area:52.6
Heavy Atom Count:10
Complexity:95.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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