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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H42O6
Molecular Weight 402.5653
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bis[2-(2-ethylbutoxy)ethyl] adipate

SMILES

CCC(CC)COCCOC(=O)CCCCC(=O)OCCOCC(CC)CC

InChI

InChIKey=VHCPQIOKWWQIRV-UHFFFAOYSA-N
InChI=1S/C22H42O6/c1-5-19(6-2)17-25-13-15-27-21(23)11-9-10-12-22(24)28-16-14-26-18-20(7-3)8-4/h19-20H,5-18H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C22H42O6
Molecular Weight 402.5653
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 22:08:11 GMT 2025
Edited
by admin
on Mon Mar 31 22:08:11 GMT 2025
Record UNII
PCH9ZV532V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bis[2-(2-ethylbutoxy)ethyl] adipate
Systematic Name English
1,6-Bis[2-(2-ethylbutoxy)ethyl] hexanedioate
Preferred Name English
Hexanedioic acid, 1,6-bis[2-(2-ethylbutoxy)ethyl] ester
Systematic Name English
Code System Code Type Description
FDA UNII
PCH9ZV532V
Created by admin on Mon Mar 31 22:08:11 GMT 2025 , Edited by admin on Mon Mar 31 22:08:11 GMT 2025
PRIMARY
PUBCHEM
24628
Created by admin on Mon Mar 31 22:08:11 GMT 2025 , Edited by admin on Mon Mar 31 22:08:11 GMT 2025
PRIMARY
CAS
7790-07-0
Created by admin on Mon Mar 31 22:08:11 GMT 2025 , Edited by admin on Mon Mar 31 22:08:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID3073133
Created by admin on Mon Mar 31 22:08:11 GMT 2025 , Edited by admin on Mon Mar 31 22:08:11 GMT 2025
PRIMARY