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Details

Stereochemistry ACHIRAL
Molecular Formula C5H8O2
Molecular Weight 100.1158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETYLACETONE

SMILES

CC(=O)CC(C)=O

InChI

InChIKey=YRKCREAYFQTBPV-UHFFFAOYSA-N
InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C5H8O2
Molecular Weight 100.1158
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:50:11 UTC 2023
Edited
by admin
on Fri Dec 15 15:50:11 UTC 2023
Record UNII
46R950BP4J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETYLACETONE
MI  
Systematic Name English
4-HYDROXY-3-PENTEN-2-ONE
Systematic Name English
ACETYL ACETONE
HSDB  
Systematic Name English
NSC-5575
Code English
ACETYLACETONE ENOL
Common Name English
2,4-PENTANEDIONE
Systematic Name English
3-PENTEN-2-ONE, 4-HYDROXY-
Systematic Name English
2,4-PENTANDIONE
Systematic Name English
ACETYL ACETONE [HSDB]
Common Name English
ACETYLACETONE [MI]
Common Name English
PENTANE-2,4-DIONE
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 600054
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
Code System Code Type Description
PUBCHEM
31261
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
CAS
1522-20-9
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
ALTERNATIVE
MERCK INDEX
m1346
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY Merck Index
NSC
5575
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
SMS_ID
100000143388
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-634-0
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID4021979
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
FDA UNII
46R950BP4J
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
EVMPD
SUB120168
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
MESH
C008790
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
HSDB
2064
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
CAS
123-54-6
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
CHEBI
14750
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
WIKIPEDIA
ACETYLACETONE
Created by admin on Fri Dec 15 15:50:11 UTC 2023 , Edited by admin on Fri Dec 15 15:50:11 UTC 2023
PRIMARY
Related Record Type Details
Structure of ZINC ACETYLACETONATE
SALT/SOLVATE -> PARENT
Structure of FERRIC ACETYLACETONATE
SALT/SOLVATE -> PARENT
Structure of BERYLLIUM ACETYLACETONATE
SALT/SOLVATE -> PARENT
Structure of TITANIUM TETRAACETYLACETONATE
SALT/SOLVATE -> PARENT
Structure of ZIRCONIUM ACETYLACETONATE
SALT/SOLVATE -> PARENT
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