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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O2
Molecular Weight 142.1956
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-OCTANEDIONE

SMILES

CCCC(=O)C(=O)CCC

InChI

InChIKey=XYZAPOXYXNIBEU-UHFFFAOYSA-N
InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4,5-OCTANEDIONE
Systematic Name English
N-OCTANE-4,5-DIONE
Common Name English
4,5-OCTADIONE
Common Name English
NSC-23256
Code English
FEMA NO. 4533
Code English
DIPROPYL DIKETONE
Systematic Name English
BIBUTYRYL
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 4,5-OCTANEDIONE
Created by admin on Sat Dec 16 00:03:17 GMT 2023 , Edited by admin on Sat Dec 16 00:03:17 GMT 2023
Code System Code Type Description
PUBCHEM
138508
Created by admin on Sat Dec 16 00:03:17 GMT 2023 , Edited by admin on Sat Dec 16 00:03:17 GMT 2023
PRIMARY
CAS
5455-24-3
Created by admin on Sat Dec 16 00:03:17 GMT 2023 , Edited by admin on Sat Dec 16 00:03:17 GMT 2023
PRIMARY
NSC
23256
Created by admin on Sat Dec 16 00:03:17 GMT 2023 , Edited by admin on Sat Dec 16 00:03:17 GMT 2023
PRIMARY
JECFA MONOGRAPH
2015
Created by admin on Sat Dec 16 00:03:17 GMT 2023 , Edited by admin on Sat Dec 16 00:03:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID50202971
Created by admin on Sat Dec 16 00:03:17 GMT 2023 , Edited by admin on Sat Dec 16 00:03:17 GMT 2023
PRIMARY
FDA UNII
9OCI30QIY0
Created by admin on Sat Dec 16 00:03:17 GMT 2023 , Edited by admin on Sat Dec 16 00:03:17 GMT 2023
PRIMARY