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Details

Stereochemistry ACHIRAL
Molecular Formula C12H22O3
Molecular Weight 214.3013
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTYL ACETOACETATE

SMILES

CCCCCCCCOC(=O)CC(C)=O

InChI

InChIKey=IKYDDBGYKFPTGF-UHFFFAOYSA-N
InChI=1S/C12H22O3/c1-3-4-5-6-7-8-9-15-12(14)10-11(2)13/h3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H22O3
Molecular Weight 214.3013
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:21:23 GMT 2023
Edited
by admin
on Sat Dec 16 12:21:23 GMT 2023
Record UNII
PL4K8GV3K4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTYL ACETOACETATE
Systematic Name English
1-OCTYL 3-OXOBUTANOATE
Systematic Name English
BUTANOIC ACID, 3-OXO-, OCTYL ESTER
Systematic Name English
N-OCTYL ACETYLACETATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10167754
Created by admin on Sat Dec 16 12:21:23 GMT 2023 , Edited by admin on Sat Dec 16 12:21:23 GMT 2023
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PUBCHEM
85418
Created by admin on Sat Dec 16 12:21:23 GMT 2023 , Edited by admin on Sat Dec 16 12:21:23 GMT 2023
PRIMARY
CAS
16436-00-3
Created by admin on Sat Dec 16 12:21:23 GMT 2023 , Edited by admin on Sat Dec 16 12:21:23 GMT 2023
PRIMARY
FDA UNII
PL4K8GV3K4
Created by admin on Sat Dec 16 12:21:23 GMT 2023 , Edited by admin on Sat Dec 16 12:21:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
240-491-0
Created by admin on Sat Dec 16 12:21:23 GMT 2023 , Edited by admin on Sat Dec 16 12:21:23 GMT 2023
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