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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14OS
Molecular Weight 146.25
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-4-(METHYLTHIO)-2-PENTANONE

SMILES

CSC(C)(C)CC(C)=O

InChI

InChIKey=DHANVOSHQILVNQ-UHFFFAOYSA-N
InChI=1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C7H14OS
Molecular Weight 146.25
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Optimization of ultrasound assisted-emulsification-dispersive liquid-liquid microextraction by experimental design methodologies for the determination of sulfur compounds in wines by gas chromatography-mass spectrometry.
2010-12-17
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:24:17 GMT 2025
Edited
by admin
on Mon Mar 31 19:24:17 GMT 2025
Record UNII
G69HK72Q3Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYL-4-(METHYLTHIO)-2-PENTANONE
Systematic Name English
FEMA NO. 3376
Preferred Name English
4-METHYLMERCAPTO-4-METHYLPENTAN-2-ONE
Systematic Name English
4-METHYLTHIO-4-METHYL-2-PENTANONE [FHFI]
Common Name English
CASSIS PENTANONE
Common Name English
4-(METHYLTHIO)-4-METHYL-2-PENTANONE
Systematic Name English
2-PENTANONE, 4-METHYL-4-(METHYLTHIO)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
245-727-6
Created by admin on Mon Mar 31 19:24:17 GMT 2025 , Edited by admin on Mon Mar 31 19:24:17 GMT 2025
PRIMARY
JECFA MONOGRAPH
119
Created by admin on Mon Mar 31 19:24:17 GMT 2025 , Edited by admin on Mon Mar 31 19:24:17 GMT 2025
PRIMARY
FDA UNII
G69HK72Q3Y
Created by admin on Mon Mar 31 19:24:17 GMT 2025 , Edited by admin on Mon Mar 31 19:24:17 GMT 2025
PRIMARY
CAS
23550-40-5
Created by admin on Mon Mar 31 19:24:17 GMT 2025 , Edited by admin on Mon Mar 31 19:24:17 GMT 2025
PRIMARY
PUBCHEM
4682590
Created by admin on Mon Mar 31 19:24:17 GMT 2025 , Edited by admin on Mon Mar 31 19:24:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID0066905
Created by admin on Mon Mar 31 19:24:17 GMT 2025 , Edited by admin on Mon Mar 31 19:24:17 GMT 2025
PRIMARY