U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H12OS
Molecular Weight 132.224
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-MERCAPTO-4-METHYL-2-PENTANONE

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Impact odorants of different young white wines from the Canary Islands.
2003 May 21
Quantitative determination of sulfur-containing wine odorants at sub parts per billion levels. 2. Development and application of a stable isotope dilution assay.
2003 May 21
Characterization of the aroma of a wine from maccabeo. Key role played by compounds with low odor activity values.
2004 Jun 2
Variation in 4-mercapto-4-methyl-pentan-2-one release by Saccharomyces cerevisiae commercial wine strains.
2004 Nov 15
Occurrence of polyfunctional thiols in fresh lager beers.
2006 Jul 12
Automated analysis of 2-methyl-3-furanthiol and 3-mercaptohexyl acetate at ng L(-1) level by headspace solid-phase microextracion with on-fibre derivatisation and gas chromatography-negative chemical ionization mass spectrometric determination.
2006 Jul 14
Comparison of 4-Mercapto-4-methylpentan-2-one contents in hop cultivars from different growing regions.
2008 Feb 13
Surprising structural lability of a cysteine-S-conjugate precursor of 4-methyl-4-sulfanylpentan-2-one, a varietal aroma in wine of Vitis vinifera L. cv. Sauvignon blanc.
2008 May
Nitrogen catabolic repression controls the release of volatile thiols by Saccharomyces cerevisiae during wine fermentation.
2008 Nov
New factor characterizing the in-mouth release of odorants (volatile thiols): compositional changes in odorants exhaled from the human nose during drinking.
2009 Dec 9
First identification of 4-S-glutathionyl-4-methylpentan-2-one, a potential precursor of 4-mercapto-4-methylpentan-2-one, in Sauvignon Blanc juice.
2009 Feb 11
Impact of oxygen dissolved at bottling and transmitted through closures on the composition and sensory properties of a Sauvignon Blanc wine during bottle storage.
2009 Nov 11
Straightforward synthesis of deuterated precursors to demonstrate the biogenesis of aromatic thiols in wine.
2010 Oct 13
Analysis, occurrence, and potential sensory significance of five polyfunctional mercaptans in white wines.
2010 Sep 22
Name Type Language
4-MERCAPTO-4-METHYL-2-PENTANONE
FHFI  
Systematic Name English
4-METHYL-4-MERCAPTO-2-PENTANONE
Systematic Name English
4-METHYL-4-SULFANYLPENTAN-2-ONE
Systematic Name English
2-MERCAPTO-2-METHYLPENTAN-4-ONE
Systematic Name English
4-MERCAPTO-4-METHYL-2-PENTANONE [FHFI]
Common Name English
2-PENTANONE, 4-MERCAPTO-4-METHYL-
Systematic Name English
FEMA NO. 3997
Code English
Code System Code Type Description
MESH
C530764
Created by admin on Fri Dec 15 18:51:40 GMT 2023 , Edited by admin on Fri Dec 15 18:51:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID8051839
Created by admin on Fri Dec 15 18:51:40 GMT 2023 , Edited by admin on Fri Dec 15 18:51:40 GMT 2023
PRIMARY
FDA UNII
9524RG5ZQL
Created by admin on Fri Dec 15 18:51:40 GMT 2023 , Edited by admin on Fri Dec 15 18:51:40 GMT 2023
PRIMARY
PUBCHEM
88290
Created by admin on Fri Dec 15 18:51:40 GMT 2023 , Edited by admin on Fri Dec 15 18:51:40 GMT 2023
PRIMARY
WIKIPEDIA
4-Mercapto-4-methyl-2-pentanone
Created by admin on Fri Dec 15 18:51:40 GMT 2023 , Edited by admin on Fri Dec 15 18:51:40 GMT 2023
PRIMARY
CAS
19872-52-7
Created by admin on Fri Dec 15 18:51:40 GMT 2023 , Edited by admin on Fri Dec 15 18:51:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
243-386-8
Created by admin on Fri Dec 15 18:51:40 GMT 2023 , Edited by admin on Fri Dec 15 18:51:40 GMT 2023
PRIMARY
CHEBI
77856
Created by admin on Fri Dec 15 18:51:40 GMT 2023 , Edited by admin on Fri Dec 15 18:51:40 GMT 2023
PRIMARY
JECFA MONOGRAPH
1302
Created by admin on Fri Dec 15 18:51:40 GMT 2023 , Edited by admin on Fri Dec 15 18:51:40 GMT 2023
PRIMARY