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Details

Stereochemistry ACHIRAL
Molecular Formula C8H12O4
Molecular Weight 172.1785
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl diacetylacetate

SMILES

CCOC(=O)C(C(C)=O)C(C)=O

InChI

InChIKey=YMCDYRGMTRCAPZ-UHFFFAOYSA-N
InChI=1S/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H12O4
Molecular Weight 172.1785
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 12:34:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:34:30 GMT 2023
Record UNII
K6CX8BFF7J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl diacetylacetate
Systematic Name English
Acetoacetic acid, 2-acetyl-, ethyl ester
Systematic Name English
NSC-345
Code English
2-Acetyl-3-oxobutyric acid ethyl ester
Systematic Name English
Butanoic acid, 2-acetyl-3-oxo-, ethyl ester
Systematic Name English
Ethyl 2-acetylacetoacetate
Systematic Name English
2-Acetyl-3-oxobutanoic acid ethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
79063
Created by admin on Sat Dec 16 12:34:30 GMT 2023 , Edited by admin on Sat Dec 16 12:34:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID80209059
Created by admin on Sat Dec 16 12:34:30 GMT 2023 , Edited by admin on Sat Dec 16 12:34:30 GMT 2023
PRIMARY
CAS
603-69-0
Created by admin on Sat Dec 16 12:34:30 GMT 2023 , Edited by admin on Sat Dec 16 12:34:30 GMT 2023
PRIMARY
FDA UNII
K6CX8BFF7J
Created by admin on Sat Dec 16 12:34:30 GMT 2023 , Edited by admin on Sat Dec 16 12:34:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-053-3
Created by admin on Sat Dec 16 12:34:30 GMT 2023 , Edited by admin on Sat Dec 16 12:34:30 GMT 2023
PRIMARY
NSC
345
Created by admin on Sat Dec 16 12:34:30 GMT 2023 , Edited by admin on Sat Dec 16 12:34:30 GMT 2023
PRIMARY