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Details

Stereochemistry ACHIRAL
Molecular Formula C9H16O3
Molecular Weight 172.2215
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOAMYL ACETOACETATE

SMILES

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

InChI

InChIKey=XHRGPLDMNNGHCX-UHFFFAOYSA-N
InChI=1S/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H16O3
Molecular Weight 172.2215
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 Mon Mar 31 19:15:29 GMT 2025
Edited
by admin
on Mon Mar 31 19:15:29 GMT 2025
Record UNII
4QVH533ZIY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOAMYL ACETOACETATE
FHFI  
Systematic Name English
FEMA NO. 3551
Preferred Name English
ISOAMYL ACETOACETATE [FHFI]
Common Name English
BUTANOIC ACID, 3-OXO-, 3-METHYLBUTYL ESTER
Common Name English
ACETOACETIC ACID, ISOPENTYL ESTER
Common Name English
ISOPENTYL ALCOHOL, ACETOACETATE
Systematic Name English
ISOPENTYL ACETOACETATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION ISOAMYL ACETOACETATE
Created by admin on Mon Mar 31 19:15:29 GMT 2025 , Edited by admin on Mon Mar 31 19:15:29 GMT 2025
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 19:15:29 GMT 2025 , Edited by admin on Mon Mar 31 19:15:29 GMT 2025
Code System Code Type Description
ECHA (EC/EINECS)
218-991-5
Created by admin on Mon Mar 31 19:15:29 GMT 2025 , Edited by admin on Mon Mar 31 19:15:29 GMT 2025
PRIMARY
FDA UNII
4QVH533ZIY
Created by admin on Mon Mar 31 19:15:29 GMT 2025 , Edited by admin on Mon Mar 31 19:15:29 GMT 2025
PRIMARY
CAS
2308-18-1
Created by admin on Mon Mar 31 19:15:29 GMT 2025 , Edited by admin on Mon Mar 31 19:15:29 GMT 2025
PRIMARY
JECFA MONOGRAPH
159
Created by admin on Mon Mar 31 19:15:29 GMT 2025 , Edited by admin on Mon Mar 31 19:15:29 GMT 2025
PRIMARY
PUBCHEM
61296
Created by admin on Mon Mar 31 19:15:29 GMT 2025 , Edited by admin on Mon Mar 31 19:15:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID80177648
Created by admin on Mon Mar 31 19:15:29 GMT 2025 , Edited by admin on Mon Mar 31 19:15:29 GMT 2025
PRIMARY