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Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O3
Molecular Weight 186.2481
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Hexyl acetoacetate

SMILES

CCCCCCOC(=O)CC(C)=O

InChI

InChIKey=QNZLAXONNWOLJY-UHFFFAOYSA-N
InChI=1S/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H18O3
Molecular Weight 186.2481
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 12:21:13 GMT 2023
Edited
by admin
on Sat Dec 16 12:21:13 GMT 2023
Record UNII
985N7WN627
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Hexyl acetoacetate
Systematic Name English
Butanoic acid, 3-oxo-, hexyl ester
Systematic Name English
Hexyl 3-oxobutanoate
Systematic Name English
Code System Code Type Description
PUBCHEM
83577
Created by admin on Sat Dec 16 12:21:13 GMT 2023 , Edited by admin on Sat Dec 16 12:21:13 GMT 2023
PRIMARY
CAS
13562-84-0
Created by admin on Sat Dec 16 12:21:13 GMT 2023 , Edited by admin on Sat Dec 16 12:21:13 GMT 2023
PRIMARY
ECHA (EC/EINECS)
236-953-6
Created by admin on Sat Dec 16 12:21:13 GMT 2023 , Edited by admin on Sat Dec 16 12:21:13 GMT 2023
PRIMARY
FDA UNII
985N7WN627
Created by admin on Sat Dec 16 12:21:13 GMT 2023 , Edited by admin on Sat Dec 16 12:21:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID3065534
Created by admin on Sat Dec 16 12:21:13 GMT 2023 , Edited by admin on Sat Dec 16 12:21:13 GMT 2023
PRIMARY