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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H10O2
Molecular Weight 114.1424
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-HEXANEDIONE

SMILES

CCC(=O)C(=O)CC

InChI

InChIKey=KVFQMAZOBTXCAZ-UHFFFAOYSA-N
InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H10O2
Molecular Weight 114.1424
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:29:48 GMT 2023
Edited
by admin
on Fri Dec 15 18:29:48 GMT 2023
Record UNII
4M4NPR5VGD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-HEXANEDIONE
FHFI  
Systematic Name English
3,4-HEXANE DIONE
Systematic Name English
HEXANE-3,4-DIONE
Systematic Name English
NSC-23255
Code English
FEMA NO. 3168
Code English
3,4-HEXANEDIONE [FHFI]
Common Name English
BIPROPIONYL
Common Name English
DIETHYL-.ALPHA.,.BETA.- DIKETONE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 3,4-HEXANEDIONE
Created by admin on Fri Dec 15 18:29:48 GMT 2023 , Edited by admin on Fri Dec 15 18:29:48 GMT 2023
Code System Code Type Description
NSC
23255
Created by admin on Fri Dec 15 18:29:48 GMT 2023 , Edited by admin on Fri Dec 15 18:29:48 GMT 2023
PRIMARY
CAS
4437-51-8
Created by admin on Fri Dec 15 18:29:48 GMT 2023 , Edited by admin on Fri Dec 15 18:29:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID3047681
Created by admin on Fri Dec 15 18:29:48 GMT 2023 , Edited by admin on Fri Dec 15 18:29:48 GMT 2023
PRIMARY
PUBCHEM
62539
Created by admin on Fri Dec 15 18:29:48 GMT 2023 , Edited by admin on Fri Dec 15 18:29:48 GMT 2023
PRIMARY
JECFA MONOGRAPH
436
Created by admin on Fri Dec 15 18:29:48 GMT 2023 , Edited by admin on Fri Dec 15 18:29:48 GMT 2023
PRIMARY
FDA UNII
4M4NPR5VGD
Created by admin on Fri Dec 15 18:29:48 GMT 2023 , Edited by admin on Fri Dec 15 18:29:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-651-7
Created by admin on Fri Dec 15 18:29:48 GMT 2023 , Edited by admin on Fri Dec 15 18:29:48 GMT 2023
PRIMARY