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
Combinatorial synthesis and sensorial properties of mercapto primary alcohols and analogues.
2003 Jun 4
Characterization of the aroma of a wine from maccabeo. Key role played by compounds with low odor activity values.
2004 Jun 2
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
Improved solid-phase extraction procedure for the isolation and in-sorbent pentafluorobenzyl alkylation of polyfunctional mercaptans. Optimized procedure and analytical applications.
2008 Mar 21
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
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
Selective preconcentration of volatile mercaptans in small SPE cartridges: quantitative determination of trace odor-active polyfunctional mercaptans in wine.
2009 Nov
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
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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
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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
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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
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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
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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
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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
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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