Important Announcement

X

ChemIDplus is moving to PubChem in December 2022.
Please see the NLM Technical Bulletin article for more information.

Skip Navigation
ChemIDplus LiteBrowseAdvanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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