U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Approval Year

Name Type Language
2-ISOOCTANONE
Common 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
NSC-39665
Code English
Code System Code Type Description
NSC
39665
Created by admin on Sat Dec 16 10:47:15 GMT 2023 , Edited by admin on Sat Dec 16 10:47:15 GMT 2023
PRIMARY
ECHA (EC/EINECS)
213-179-7
Created by admin on Sat Dec 16 10:47:15 GMT 2023 , Edited by admin on Sat Dec 16 10:47:15 GMT 2023
PRIMARY
PUBCHEM
13572
Created by admin on Sat Dec 16 10:47:15 GMT 2023 , Edited by admin on Sat Dec 16 10:47:15 GMT 2023
PRIMARY
CAS
928-68-7
Created by admin on Sat Dec 16 10:47:15 GMT 2023 , Edited by admin on Sat Dec 16 10:47:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID7061302
Created by admin on Sat Dec 16 10:47:15 GMT 2023 , Edited by admin on Sat Dec 16 10:47:15 GMT 2023
PRIMARY
FDA UNII
N203Q7UI56
Created by admin on Sat Dec 16 10:47:15 GMT 2023 , Edited by admin on Sat Dec 16 10:47:15 GMT 2023
PRIMARY