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Details

Stereochemistry ACHIRAL
Molecular Formula C8H16O
Molecular Weight 128.212
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ISOOCTANONE

SMILES

CC(C)CCCC(C)=O

InChI

InChIKey=DPLGXGDPPMLJHN-UHFFFAOYSA-N
InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H16O
Molecular Weight 128.212
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 23:26:30 GMT 2025
Edited
by admin
on Mon Mar 31 23:26:30 GMT 2025
Record UNII
N203Q7UI56
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ISOOCTANONE
Common Name English
NSC-39665
Preferred Name English
6-METHYLHEPTAN-2-ONE
Systematic Name English
6-METHYL-2-HEPTANONE
Systematic Name English
2-HEPTANONE, 6-METHYL-
Systematic Name English
2-METHYL-6-HEPTANONE
Systematic Name English
METHYL ISOHEXYL KETONE
Systematic Name English
ISOOCTAN-2-ONE
Systematic Name English
Code System Code Type Description
NSC
39665
Created by admin on Mon Mar 31 23:26:30 GMT 2025 , Edited by admin on Mon Mar 31 23:26:30 GMT 2025
PRIMARY
ECHA (EC/EINECS)
213-179-7
Created by admin on Mon Mar 31 23:26:30 GMT 2025 , Edited by admin on Mon Mar 31 23:26:30 GMT 2025
PRIMARY
PUBCHEM
13572
Created by admin on Mon Mar 31 23:26:30 GMT 2025 , Edited by admin on Mon Mar 31 23:26:30 GMT 2025
PRIMARY
CAS
928-68-7
Created by admin on Mon Mar 31 23:26:30 GMT 2025 , Edited by admin on Mon Mar 31 23:26:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID7061302
Created by admin on Mon Mar 31 23:26:30 GMT 2025 , Edited by admin on Mon Mar 31 23:26:30 GMT 2025
PRIMARY
FDA UNII
N203Q7UI56
Created by admin on Mon Mar 31 23:26:30 GMT 2025 , Edited by admin on Mon Mar 31 23:26:30 GMT 2025
PRIMARY