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Details

Stereochemistry RACEMIC
Molecular Formula C5H10OS
Molecular Weight 118.197
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(METHYLTHIO)BUTANAL

SMILES

CSC(C)CC=O

InChI

InChIKey=NCBDFIPMWRKPDU-UHFFFAOYSA-N
InChI=1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H10OS
Molecular Weight 118.197
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:14:24 GMT 2023
Edited
by admin
on Fri Dec 15 18:14:24 GMT 2023
Record UNII
1B27G5W046
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(METHYLTHIO)BUTANAL
Systematic Name English
3-METHYLSULFANYLBUTYRALDEHYDE
Systematic Name English
3-(METHYLTHIO)BUTYRALDEHYDE
Systematic Name English
3-METHYLTHIOBUTYRALDEHYDE [FHFI]
Common Name English
(±)-3-(METHYLTHIO)BUTANAL
Systematic Name English
FEMA NO. 3374
Code English
.BETA.-(METHYLTHIO)BUTYRALDEHYDE
Systematic Name English
POTATO BUTYRALDEHYDE
Common Name English
BUTANAL, 3-(METHYLTHIO)-
Systematic Name English
BUTYRALDEHYDE, 3-(METHYLTHIO)-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-(METHYLTHIO)BUTANAL
Created by admin on Fri Dec 15 18:14:24 GMT 2023 , Edited by admin on Fri Dec 15 18:14:24 GMT 2023
Code System Code Type Description
PUBCHEM
61845
Created by admin on Fri Dec 15 18:14:24 GMT 2023 , Edited by admin on Fri Dec 15 18:14:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID70864696
Created by admin on Fri Dec 15 18:14:24 GMT 2023 , Edited by admin on Fri Dec 15 18:14:24 GMT 2023
PRIMARY
FDA UNII
1B27G5W046
Created by admin on Fri Dec 15 18:14:24 GMT 2023 , Edited by admin on Fri Dec 15 18:14:24 GMT 2023
PRIMARY
CAS
16630-52-7
Created by admin on Fri Dec 15 18:14:24 GMT 2023 , Edited by admin on Fri Dec 15 18:14:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
240-678-7
Created by admin on Fri Dec 15 18:14:24 GMT 2023 , Edited by admin on Fri Dec 15 18:14:24 GMT 2023
PRIMARY
JECFA MONOGRAPH
109
Created by admin on Fri Dec 15 18:14:24 GMT 2023 , Edited by admin on Fri Dec 15 18:14:24 GMT 2023
PRIMARY