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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 2,3-HEPTANEDIONE

SMILES

CCCCC(=O)C(C)=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C7H12O2
Molecular Weight 128.169
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:07:06 GMT 2023
Edited
by admin
on Fri Dec 15 17:07:06 GMT 2023
Record UNII
DK55DDE86P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-HEPTANEDIONE
FHFI  
Systematic Name English
VALERYLACETYL
Common Name English
NSC-31668
Code English
2,3-HEPTANEDIONE [FHFI]
Common Name English
FEMA NO. 2543
Code English
ACETYL VALERYL
Common Name English
2,3-HEPTANDIONE [FCC]
Common Name English
ACETYL PENTANOYL
Common Name English
Classification Tree Code System Code
JECFA EVALUATION 2,3-HEPTANEDIONE
Created by admin on Fri Dec 15 17:07:07 GMT 2023 , Edited by admin on Fri Dec 15 17:07:07 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:07:07 GMT 2023 , Edited by admin on Fri Dec 15 17:07:07 GMT 2023
Code System Code Type Description
CAS
96-04-8
Created by admin on Fri Dec 15 17:07:07 GMT 2023 , Edited by admin on Fri Dec 15 17:07:07 GMT 2023
PRIMARY
NSC
31668
Created by admin on Fri Dec 15 17:07:07 GMT 2023 , Edited by admin on Fri Dec 15 17:07:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-472-5
Created by admin on Fri Dec 15 17:07:07 GMT 2023 , Edited by admin on Fri Dec 15 17:07:07 GMT 2023
PRIMARY
FDA UNII
DK55DDE86P
Created by admin on Fri Dec 15 17:07:07 GMT 2023 , Edited by admin on Fri Dec 15 17:07:07 GMT 2023
PRIMARY
JECFA MONOGRAPH
437
Created by admin on Fri Dec 15 17:07:07 GMT 2023 , Edited by admin on Fri Dec 15 17:07:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID4059128
Created by admin on Fri Dec 15 17:07:07 GMT 2023 , Edited by admin on Fri Dec 15 17:07:07 GMT 2023
PRIMARY
PUBCHEM
60983
Created by admin on Fri Dec 15 17:07:07 GMT 2023 , Edited by admin on Fri Dec 15 17:07:07 GMT 2023
PRIMARY