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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O
Molecular Weight 100.1589
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLVALERALDEHYDE

SMILES

CC(C)CCC=O

InChI

InChIKey=JGEGJYXHCFUMJF-UHFFFAOYSA-N
InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H12O
Molecular Weight 100.1589
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:22:59 GMT 2025
Edited
by admin
on Mon Mar 31 19:22:59 GMT 2025
Record UNII
T0AO9E93RH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYLVALERALDEHYDE
Systematic Name English
.GAMMA.-METHYLVALERALDEHYDE
Preferred Name English
PENTANAL, 4-METHYL-
Systematic Name English
VALERALDEHYDE, 4-METHYL-
Systematic Name English
4-METHYLPENTANAL
Systematic Name English
4-METHYLPENTAN-1-ONE
Systematic Name English
ISOHEXANAL
Systematic Name English
ISOCAPROALDEHYDE
Systematic Name English
4-METHYL-1-PENTANAL
Systematic Name English
Code System Code Type Description
CAS
1119-16-0
Created by admin on Mon Mar 31 19:22:59 GMT 2025 , Edited by admin on Mon Mar 31 19:22:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID8061509
Created by admin on Mon Mar 31 19:22:59 GMT 2025 , Edited by admin on Mon Mar 31 19:22:59 GMT 2025
PRIMARY
PUBCHEM
129
Created by admin on Mon Mar 31 19:22:59 GMT 2025 , Edited by admin on Mon Mar 31 19:22:59 GMT 2025
PRIMARY
CHEBI
17998
Created by admin on Mon Mar 31 19:22:59 GMT 2025 , Edited by admin on Mon Mar 31 19:22:59 GMT 2025
PRIMARY
FDA UNII
T0AO9E93RH
Created by admin on Mon Mar 31 19:22:59 GMT 2025 , Edited by admin on Mon Mar 31 19:22:59 GMT 2025
PRIMARY
ECHA (EC/EINECS)
214-273-0
Created by admin on Mon Mar 31 19:22:59 GMT 2025 , Edited by admin on Mon Mar 31 19:22:59 GMT 2025
PRIMARY