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Substance Name: 4-Mercapto-4-methyl-2-pentanone
RN: 19872-52-7
UNII: 9524RG5ZQL
InChIKey: QRNZMFDCKKEPSX-UHFFFAOYSA-N

Note

  • A varietal aroma compound of Vitis vinifera.

Molecular Formula

  • C6-H12-O-S

Molecular Weight

  • 132.226
 
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Names and Synonyms

Name of Substance

  • 4-Mercapto-4-methyl-2-pentanone

Synonyms

  • 2-Pentanone, 4-mercapto-4-methyl-
  • 4-Methyl-4-mercapto-pentan-2-one
  • EINECS 243-386-8
  • UNII-9524RG5ZQL

Systematic Names

  • 2-Pentanone, 4-mercapto-4-methyl-
  • 4-Mercapto-4-methylpentan-2-one

Registry Numbers

CAS Registry Number

  • 19872-52-7

FDA UNII

  • 9524RG5ZQL

System Generated Number

  • 0019872527

Structure Descriptors

InChI

InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

InChIKey

QRNZMFDCKKEPSX-UHFFFAOYSA-N

Smiles

CC(=O)CC(C)(C)S