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

Details

Stereochemistry MIXED
Molecular Formula C7H10O2
Molecular Weight 126.1531
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIMETHYL 1,2-CYCLOPENTANDIONE

SMILES

CC1CC(=O)C(=O)C1C

InChI

InChIKey=WGAVDEVFJDQIMZ-UHFFFAOYSA-N
InChI=1S/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4-5H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C7H10O2
Molecular Weight 126.1531
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:40:37 GMT 2023
Edited
by admin
on Fri Dec 15 17:40:37 GMT 2023
Record UNII
50AIF51OCI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIMETHYL 1,2-CYCLOPENTANDIONE
FCC   FHFI  
Systematic Name English
3,4-DIMETHYL-1,2-CYCLOPENTANEDIONE
Common Name English
CARAMEL PENTADIONE
Common Name English
3,4-DIMETHYL 1,2-CYCLOPENTANDIONE, (±)-
Common Name English
3,4-DIMETHYL 1,2-CYCLOPENTANDIONE, DL-
Common Name English
FEMA NO. 3268
Code English
1,2-CYCLOPENTANEDIONE, 3,4-DIMETHYL-
Systematic Name English
2-HYDROXY-3,4-DIMETHYLCYCLOPENT-2-EN-1-ONE
Systematic Name English
3,4-DIMETHYL 1,2-CYCLOPENTANDIONE [FHFI]
Common Name English
3,4-DIMETHYL 1,2-CYCLOPENTANDIONE [FCC]
Common Name English
3,4-DIMETHYLCYCLOPENTANE-1,2-DIONE
Systematic Name English
3,4-DIMETHYL-1,2-CYCLOPENTADIONE
Common Name English
2-CYCLOPENTEN-1-ONE, 2-HYDROXY-3,4-DIMETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
244-604-4
Created by admin on Fri Dec 15 17:40:37 GMT 2023 , Edited by admin on Fri Dec 15 17:40:37 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID5051864
Created by admin on Fri Dec 15 17:40:37 GMT 2023 , Edited by admin on Fri Dec 15 17:40:37 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID2051689
Created by admin on Fri Dec 15 17:40:37 GMT 2023 , Edited by admin on Fri Dec 15 17:40:37 GMT 2023
PRIMARY
CAS
13494-06-9
Created by admin on Fri Dec 15 17:40:37 GMT 2023 , Edited by admin on Fri Dec 15 17:40:37 GMT 2023
PRIMARY
FDA UNII
50AIF51OCI
Created by admin on Fri Dec 15 17:40:37 GMT 2023 , Edited by admin on Fri Dec 15 17:40:37 GMT 2023
PRIMARY
CAS
21835-00-7
Created by admin on Fri Dec 15 17:40:37 GMT 2023 , Edited by admin on Fri Dec 15 17:40:37 GMT 2023
ALTERNATIVE
PUBCHEM
61633
Created by admin on Fri Dec 15 17:40:37 GMT 2023 , Edited by admin on Fri Dec 15 17:40:37 GMT 2023
PRIMARY
JECFA MONOGRAPH
96
Created by admin on Fri Dec 15 17:40:37 GMT 2023 , Edited by admin on Fri Dec 15 17:40:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
236-810-8
Created by admin on Fri Dec 15 17:40:37 GMT 2023 , Edited by admin on Fri Dec 15 17:40:37 GMT 2023
PRIMARY