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Home > Encyclopedia > 1,4-Bis(3-methylbutyl) 2-mercaptobutanedioate

1,4-Bis(3-methylbutyl) 2-mercaptobutanedioate

1,4-Bis(3-methylbutyl) 2-mercaptobutanedioate structure

1,4-Bis(3-methylbutyl) 2-mercaptobutanedioate 

structure
  • CAS No:

    68084-03-7

  • Formula:

    C14H26O4S

  • Chemical Name:

    1,4-Bis(3-methylbutyl) 2-mercaptobutanedioate

  • Synonyms:

    Butanedioic acid,2-mercapto-,1,4-bis(3-methylbutyl) ester;Butanedioic acid,mercapto-,bis(3-methylbutyl) ester;1,4-Bis(3-methylbutyl) 2-mercaptobutanedioate;Diisoamyl thiomalate

Description

Colourless to yellow liquid; Fruity, onion odour


Diisopentyl thiomalate is a fatty acid ester.

1,4-Bis(3-methylbutyl) 2-mercaptobutanedioate Basic Attributes

290.42 g/mol

290.42

268-416-7

Characteristics

53.6 Ų

1.006-1.013

1.453-1.459

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

1,4-Bis(3-methylbutyl) 2-mercaptobutanedioate Use and Manufacturing

Butanedioic acid, 2-mercapto-, 1,4-bis(3-methylbutyl) ester: INACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Flavoring Agents

Computed Properties

Molecular Weight:290.42
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:290.15518048
Monoisotopic Mass:290.15518048
Topological Polar Surface Area:53.6
Heavy Atom Count:19
Complexity:277
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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