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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl acetoacetate

SMILES

CC(=O)CC(=O)OC(C)(C)C

InChI

InChIKey=JKUYRAMKJLMYLO-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C8H14O3
Molecular Weight 158.195
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Improved synthesis of three methyl-branched pheromone components produced by the female lichen moth.
2010
Synthesis of cyclopentenones via intramolecular HWE and the palladium-catalyzed reactions of allylic hydroxy phosphonate derivatives.
2008-07-18
An alternative to the use of delta-lactam urethanes in the "ring switch" approach to higher homologues of AMPA-type glutamate antagonists.
2003-08-07
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:34:23 GMT 2025
Edited
by admin
on Mon Mar 31 19:34:23 GMT 2025
Record UNII
1D3DOS61GX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-42869
Preferred Name English
tert-Butyl acetoacetate
Systematic Name English
Acetoacetic acid tert-butyl ester
Systematic Name English
Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester
Common Name English
Butyl acetoacetate, tert-
Systematic Name English
tert-Butyl 3-oxobutanoate
Systematic Name English
1,1-Dimethylethyl acetoacetate
Systematic Name English
tert-Butyl acetylacetonate
Common Name English
Acetoacetic acid, tert-butyl ester
Common Name English
tert-Butyl 3-oxobutyrate
Systematic Name English
Code System Code Type Description
CAS
1694-31-1
Created by admin on Mon Mar 31 19:34:23 GMT 2025 , Edited by admin on Mon Mar 31 19:34:23 GMT 2025
PRIMARY
PUBCHEM
15538
Created by admin on Mon Mar 31 19:34:23 GMT 2025 , Edited by admin on Mon Mar 31 19:34:23 GMT 2025
PRIMARY
FDA UNII
1D3DOS61GX
Created by admin on Mon Mar 31 19:34:23 GMT 2025 , Edited by admin on Mon Mar 31 19:34:23 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-904-5
Created by admin on Mon Mar 31 19:34:23 GMT 2025 , Edited by admin on Mon Mar 31 19:34:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID4044402
Created by admin on Mon Mar 31 19:34:23 GMT 2025 , Edited by admin on Mon Mar 31 19:34:23 GMT 2025
PRIMARY
NSC
42869
Created by admin on Mon Mar 31 19:34:23 GMT 2025 , Edited by admin on Mon Mar 31 19:34:23 GMT 2025
PRIMARY