3-SULFANYLHEXYL ACETATE

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

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

Approval Year

PubMed

Show entries

Title	Date	PubMed
Impact odorants of different young white wines from the Canary Islands.	2003 May 21	12744677
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	16678837
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	16968090
Modulation of volatile sulfur compounds by wine yeast.	2007 Apr	17262212
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	17631109

Showing 1 to 5 of 10 entries

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Patents

Show entries

Name

Type

Language

FEMA NO. 3851, PURE-

Preferred Name

English

3-SULFANYLHEXYL ACETATE

Systematic Name

English

(±)-3-SULFANYLHEXYL ACETATE

Systematic Name

English

1-HEXANOL, 3-MERCAPTO-, 1-ACETATE

Common Name

English

3-SULFANYLHEXYL ACETATE, (±)-

Systematic Name

English

Showing 1 to 5 of 5 entries

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Show entries

Code System

Code

Type

Description

PUBCHEM

518810

PRIMARY

EPA CompTox

DTXSID50869866

PRIMARY

CAS

136954-20-6

PRIMARY

CHEBI

77818

PRIMARY

FDA UNII

2N346IQC0M

PRIMARY

Showing 1 to 5 of 5 entries

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SUBSTANCE RECORD


					2N346IQC0M

3-SULFANYLHEXYL ACETATE