4-MERCAPTO-4-METHYL-2-PENTANONE

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

Structure Search

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

Molecular Formula	C6H12OS
Molecular Weight	132.224
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Evaluation of key aroma compounds in hand-squeezed grapefruit juice (Citrus paradisi Macfayden) by quantitation and flavor reconstitution experiments.	2001 Mar	11312864
Identification of potent odorants in different green tea varieties using flavor dilution technique.	2002 Sep 25	12236694
Impact odorants of different young white wines from the Canary Islands.	2003 May 21	12744677
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	12744649
Characterization of the aroma of a wine from maccabeo. Key role played by compounds with low odor activity values.	2004 Jun 2	15161224
Variation in 4-mercapto-4-methyl-pentan-2-one release by Saccharomyces cerevisiae commercial wine strains.	2004 Nov 15	15522498
Occurrence of polyfunctional thiols in fresh lager beers.	2006 Jul 12	16819917
Influence of fermentation temperature on volatile thiols concentrations in Sauvignon blanc wines.	2006 May 1	16524635
Nitrogen catabolic repression controls the release of volatile thiols by Saccharomyces cerevisiae during wine fermentation.	2008 Nov	18462383
The influence of yeast on the aroma of Sauvignon Blanc wine.	2009 Apr	19171264
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	19902943
Selective preconcentration of volatile mercaptans in small SPE cartridges: quantitative determination of trace odor-active polyfunctional mercaptans in wine.	2009 Nov	19813224
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	19886682
Evolution of S-cysteinylated and S-glutathionylated thiol precursors during oxidation of Melon B. and Sauvignon blanc musts.	2010 Apr 14	20199086
Reactivity of volatile thiols with polyphenols in a wine-model medium: impact of oxygen, iron, and sulfur dioxide.	2010 Feb 15	20103150
Validation of a nanoliquid chromatography-tandem mass spectrometry method for the identification and the accurate quantification by isotopic dilution of glutathionylated and cysteinylated precursors of 3-mercaptohexan-1-ol and 4-mercapto-4-methylpentan-2-one in white grape juices.	2010 Mar 5	20122692
Straightforward synthesis of deuterated precursors to demonstrate the biogenesis of aromatic thiols in wine.	2010 Oct 13	20825191
Analysis, occurrence, and potential sensory significance of five polyfunctional mercaptans in white wines.	2010 Sep 22	20718418

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:51:40 GMT 2023` Edited by `admin` on `Fri Dec 15 18:51:40 GMT 2023`
Record UNII	9524RG5ZQL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-MERCAPTO-4-METHYL-2-PENTANONE

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