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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 Isobutyl acetoacetate

SMILES

CC(C)COC(=O)CC(C)=O

InChI

InChIKey=ZYXNLVMBIHVDRH-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Isobutyl acetoacetate
FHFI  
Systematic Name English
FEMA NO. 2177
Preferred Name English
ISOBUTYL ACETOACETATE [FHFI]
Common Name English
ISOBUTYL 3-OXOBUTANOATE
Systematic Name English
ACETOACETIC ACID, ISOBUTYL ESTER
Common Name English
2-METHYL-1-PROPYL ACETOACETATE
Systematic Name English
ISOBUTYL 3-KETOBUTANOATE
Systematic Name English
2-METHYLPROPYL 3-OXOBUTANOATE
Systematic Name English
ISOBUTYL 3-KETOBUTYRATE
Systematic Name English
BUTANOIC ACID, 3-OXO-, 2-METHYLPROPYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ISOBUTYL ACETOACETATE
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
Code System Code Type Description
PUBCHEM
522677
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
JECFA MONOGRAPH
158
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID3064805
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
FDA UNII
5HI9DAL68Z
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
ECHA (EC/EINECS)
231-937-5
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY
CAS
7779-75-1
Created by admin on Mon Mar 31 19:02:28 GMT 2025 , Edited by admin on Mon Mar 31 19:02:28 GMT 2025
PRIMARY