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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O2
Molecular Weight 128.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-HEPTANEDIONE

SMILES

CCCC(=O)CC(C)=O

InChI

InChIKey=ILPNRWUGFSPGAA-UHFFFAOYSA-N
InChI=1S/C7H12O2/c1-3-4-7(9)5-6(2)8/h3-5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
BUTANOYLACETONE
Preferred Name English
2,4-HEPTANEDIONE
Systematic Name English
BUTYRYLACETONE
Systematic Name English
HEPTANE-2,4-DIONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70223340
Created by admin on Mon Mar 31 19:05:04 GMT 2025 , Edited by admin on Mon Mar 31 19:05:04 GMT 2025
PRIMARY
FDA UNII
EU0GSN19XA
Created by admin on Mon Mar 31 19:05:04 GMT 2025 , Edited by admin on Mon Mar 31 19:05:04 GMT 2025
PRIMARY
ECHA (EC/EINECS)
230-759-5
Created by admin on Mon Mar 31 19:05:04 GMT 2025 , Edited by admin on Mon Mar 31 19:05:04 GMT 2025
PRIMARY
CAS
7307-02-0
Created by admin on Mon Mar 31 19:05:04 GMT 2025 , Edited by admin on Mon Mar 31 19:05:04 GMT 2025
PRIMARY
PUBCHEM
23732
Created by admin on Mon Mar 31 19:05:04 GMT 2025 , Edited by admin on Mon Mar 31 19:05:04 GMT 2025
PRIMARY