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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O3
Molecular Weight 144.1684
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPYL ACETOACETATE

SMILES

CCCOC(=O)CC(C)=O

InChI

InChIKey=DHGFMVMDBNLMKT-UHFFFAOYSA-N
InChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
PROPYL ACETOACETATE
Systematic Name English
NSC-42862
Preferred Name English
BUTANOIC ACID, 3-OXO-, PROPYL ESTER
Systematic Name English
PROPYL 3-OXOBUTANOATE
Systematic Name English
N-PROPYL ACETOACETATE
Common Name English
Code System Code Type Description
NSC
42862
Created by admin on Wed Apr 02 10:28:06 GMT 2025 , Edited by admin on Wed Apr 02 10:28:06 GMT 2025
PRIMARY
CAS
1779-60-8
Created by admin on Wed Apr 02 10:28:06 GMT 2025 , Edited by admin on Wed Apr 02 10:28:06 GMT 2025
PRIMARY
PUBCHEM
74507
Created by admin on Wed Apr 02 10:28:06 GMT 2025 , Edited by admin on Wed Apr 02 10:28:06 GMT 2025
PRIMARY
ECHA (EC/EINECS)
217-223-6
Created by admin on Wed Apr 02 10:28:06 GMT 2025 , Edited by admin on Wed Apr 02 10:28:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID60170394
Created by admin on Wed Apr 02 10:28:06 GMT 2025 , Edited by admin on Wed Apr 02 10:28:06 GMT 2025
PRIMARY
FDA UNII
DHP3NNH2R6
Created by admin on Wed Apr 02 10:28:06 GMT 2025 , Edited by admin on Wed Apr 02 10:28:06 GMT 2025
PRIMARY