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Details

Stereochemistry MIXED
Molecular Formula C6H14OS
Molecular Weight 134.24
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTO-2-METHYLPENTAN-1-OL

SMILES

CCC(S)C(C)CO

InChI

InChIKey=HABNNYNSJFKZFE-UHFFFAOYSA-N
InChI=1S/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H14OS
Molecular Weight 134.24
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Characterization of the key aroma compounds in beef and pork vegetable gravies á la chef by application of the aroma extract dilution analysis.
2009-10-14
Odorous impact of volatile thiols on the aroma of young botrytized sweet wines: identification and quantification of new sulfanyl alcohols.
2007-02-21
Quantitation of the intense aroma compound 3-mercapto-2-methylpentan-1-ol in raw and processed onions (Allium cepa) of different origins and in other Allium varieties using a stable isotope dilution assay.
2004-05-19
Inhibition of peroxynitrite-mediated cellular toxicity, tyrosine nitration, and alpha1-antiproteinase inactivation by 3-mercapto-2-methylpentan-1-ol, a novel compound isolated from Allium cepa.
2003-03-07
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:07:23 GMT 2025
Edited
by admin
on Mon Mar 31 20:07:23 GMT 2025
Record UNII
7XRY329G5S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-MERCAPTO-2-METHYLPENTAN-1-OL
Systematic Name English
3-MERCAPTO-2-METHYLPENTAN-1-OL (RACEMIC)
FHFI  
Preferred Name English
FEMA NO. 3996
Code English
1-PENTANOL, 3-MERCAPTO-2-METHYL-
Systematic Name English
3-MERCAPTO-2-METHYLPENTAN-1-OL, (±)-
Systematic Name English
3-MERCAPTO-2-METHYLPENTAN-1-OL (RACEMIC) [FHFI]
Common Name English
3-MERCAPTO-2-METHYL-1-PENTANOL
Systematic Name English
Code System Code Type Description
FDA UNII
7XRY329G5S
Created by admin on Mon Mar 31 20:07:23 GMT 2025 , Edited by admin on Mon Mar 31 20:07:23 GMT 2025
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CAS
227456-27-1
Created by admin on Mon Mar 31 20:07:23 GMT 2025 , Edited by admin on Mon Mar 31 20:07:23 GMT 2025
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EPA CompTox
DTXSID20870267
Created by admin on Mon Mar 31 20:07:23 GMT 2025 , Edited by admin on Mon Mar 31 20:07:23 GMT 2025
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JECFA MONOGRAPH
1300
Created by admin on Mon Mar 31 20:07:23 GMT 2025 , Edited by admin on Mon Mar 31 20:07:23 GMT 2025
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PUBCHEM
6430888
Created by admin on Mon Mar 31 20:07:23 GMT 2025 , Edited by admin on Mon Mar 31 20:07:23 GMT 2025
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MESH
C406689
Created by admin on Mon Mar 31 20:07:23 GMT 2025 , Edited by admin on Mon Mar 31 20:07:23 GMT 2025
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