3-MERCAPTOHEXANOL

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H14OS
Molecular Weight	134.24
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CCCC(S)CCO

InChI

InChIKey=TYZFMFVWHZKYSE-UHFFFAOYSA-N

InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3

HIDE SMILES / InChI

Approval Year

PubMed

Show entries

Title	Date	PubMed
Effect of skin contact and pressure on the composition of Sauvignon Blanc must.	2007 Dec 12	18020411
Odorous impact of volatile thiols on the aroma of young botrytized sweet wines: identification and quantification of new sulfanyl alcohols.	2007 Feb 21	17249683
Synthesis of the individual diastereomers of the cysteine conjugate of 3-mercaptohexanol (3-MH).	2008 May 28	18461959
The influence of yeast on the aroma of Sauvignon Blanc wine.	2009 Apr	19171264
Evolution of S-cysteinylated and S-glutathionylated thiol precursors during oxidation of Melon B. and Sauvignon blanc musts.	2010 Apr 14	20199086

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Patents

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Name

Type

Language

3-MERCAPTOHEXANOL

Systematic Name

English

FEMA NO. 3850

Preferred Name

English

3-MERCAPTO-1-HEXANOL

Systematic Name

English

3-MERCAPTOHEXANOL [FHFI]

Common Name

English

FEMA NO. 3851, MERCAPTOHEXANOL-

Code

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

3-MERCAPTOHEXANOL

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Show entries

Code System

Code

Type

Description

CHEBI

77690

PRIMARY

CAS

51755-83-0

PRIMARY

EPA CompTox

DTXSID70866216

PRIMARY

FDA UNII

U3TIX8Z92N

PRIMARY

MESH

C477019

PRIMARY

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SUBSTANCE RECORD


					U3TIX8Z92N

3-MERCAPTOHEXANOL