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Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2S
Molecular Weight 176.276
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-SULFANYLHEXYL ACETATE

SMILES

CCCC(S)CCOC(C)=O

InChI

InChIKey=JUCARGIKESIVLB-UHFFFAOYSA-N
InChI=1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H16O2S
Molecular Weight 176.276
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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
Effect of screwcap and cork closures on SO2 levels and aromas in a Sauvignon Blanc wine.
2005 Dec 28
Prediction of the wine sensory properties related to grape variety from dynamic-headspace gas chromatography-olfactometry data.
2005 Jul 13
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
Influence of fermentation temperature on volatile thiols concentrations in Sauvignon blanc wines.
2006 May 1
Stereoisomeric distribution of 3-mercaptohexan-1-ol and 3-mercaptohexyl acetate in dry and sweet white wines made from Vitis vinifera (Var. Sauvignon Blanc and Semillon).
2006 Sep 20
Modulation of volatile sulfur compounds by wine yeast.
2007 Apr
Engineering volatile thiol release in Saccharomyces cerevisiae for improved wine aroma.
2007 Jul
Gas chromatography-mass spectrometry determination of 3-mercaptohexan-1-ol and 3-mercaptohexyl acetate in wine: a comparison of headspace solid phase microextraction and solid phase extraction methods.
2007 Jul 23
Optimization of a procedure for the selective isolation of some powerful aroma thiols. Development and validation of a quantitative method for their determination in wine.
2007 Mar 2
Hyphenated gas chromatography-mass spectrometry analysis of 3-mercaptohexan-1-ol and 3-mercaptohexyl acetate in wine: Comparison with results of other sampling procedures via a robust regression.
2008 Jul 21
Characterization of the aroma-active compounds in pink guava (Psidium guajava, L.) by application of the aroma extract dilution analysis.
2008 Jun 11
Coinoculated fermentations using saccharomyces yeasts affect the volatile composition and sensory properties of Vitis vinifera L. cv. sauvignon blanc wines.
2008 Nov 26
Characterization of the key aroma compounds in pink guava (Psidium guajava L.) by means of aroma re-engineering experiments and omission tests.
2009 Apr 8
Improved method to quantitatively determine powerful odorant volatile thiols in wine by headspace solid-phase microextraction after derivatization.
2009 Jul 24
Selective preconcentration of volatile mercaptans in small SPE cartridges: quantitative determination of trace odor-active polyfunctional mercaptans in wine.
2009 Nov
Influence of juice pressing conditions on polyphenols, antioxidants, and varietal aroma of Sauvignon blanc microferments.
2010 Jun 23
Selectivity and efficiency of different reversed-phase and mixed-mode sorbents to preconcentrate and isolate aroma molecules.
2010 Mar 5
Effects of the nonvolatile matrix on the aroma perception of wine.
2010 May 12
Analysis, occurrence, and potential sensory significance of five polyfunctional mercaptans in white wines.
2010 Sep 22
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:18:54 GMT 2023
Edited
by admin
on Fri Dec 15 20:18:54 GMT 2023
Record UNII
2N346IQC0M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-SULFANYLHEXYL ACETATE
Systematic Name English
(±)-3-SULFANYLHEXYL ACETATE
Systematic Name English
FEMA NO. 3851, PURE-
Code English
1-HEXANOL, 3-MERCAPTO-, 1-ACETATE
Common Name English
3-SULFANYLHEXYL ACETATE, (±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
518810
Created by admin on Fri Dec 15 20:18:54 GMT 2023 , Edited by admin on Fri Dec 15 20:18:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID50869866
Created by admin on Fri Dec 15 20:18:54 GMT 2023 , Edited by admin on Fri Dec 15 20:18:54 GMT 2023
PRIMARY
CAS
136954-20-6
Created by admin on Fri Dec 15 20:18:54 GMT 2023 , Edited by admin on Fri Dec 15 20:18:54 GMT 2023
PRIMARY
CHEBI
77818
Created by admin on Fri Dec 15 20:18:54 GMT 2023 , Edited by admin on Fri Dec 15 20:18:54 GMT 2023
PRIMARY
FDA UNII
2N346IQC0M
Created by admin on Fri Dec 15 20:18:54 GMT 2023 , Edited by admin on Fri Dec 15 20:18:54 GMT 2023
PRIMARY