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Details

Stereochemistry MIXED
Molecular Formula C6H12OS
Molecular Weight 132.224
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTO-2-METHYLPENTANAL

SMILES

CCC(S)C(C)C=O

InChI

InChIKey=FSAGSGCELJTQFN-UHFFFAOYSA-N
InChI=1S/C6H12OS/c1-3-6(8)5(2)4-7/h4-6,8H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H12OS
Molecular Weight 132.224
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and sensorial properties of mercaptoaldehydes.
2002 Sep 25
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:53:24 GMT 2023
Edited
by admin
on Fri Dec 15 19:53:24 GMT 2023
Record UNII
04LG18GGDN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-MERCAPTO-2-METHYLPENTANAL
FHFI  
Systematic Name English
3-MERCAPTO-2-METHYLPENTANAL [FHFI]
Common Name English
FEMA NO. 3994
Code English
PENTANAL, 3-MERCAPTO-2-METHYL-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-MERCAPTO-2-METHYLPENTANAL
Created by admin on Fri Dec 15 19:53:24 GMT 2023 , Edited by admin on Fri Dec 15 19:53:24 GMT 2023
Code System Code Type Description
PUBCHEM
527435
Created by admin on Fri Dec 15 19:53:24 GMT 2023 , Edited by admin on Fri Dec 15 19:53:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID80945425
Created by admin on Fri Dec 15 19:53:24 GMT 2023 , Edited by admin on Fri Dec 15 19:53:24 GMT 2023
PRIMARY
FDA UNII
04LG18GGDN
Created by admin on Fri Dec 15 19:53:24 GMT 2023 , Edited by admin on Fri Dec 15 19:53:24 GMT 2023
PRIMARY
CAS
227456-28-2
Created by admin on Fri Dec 15 19:53:24 GMT 2023 , Edited by admin on Fri Dec 15 19:53:24 GMT 2023
PRIMARY
JECFA MONOGRAPH
1301
Created by admin on Fri Dec 15 19:53:24 GMT 2023 , Edited by admin on Fri Dec 15 19:53:24 GMT 2023
PRIMARY