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

Details

Stereochemistry ACHIRAL
Molecular Formula C28H46O4
Molecular Weight 446.6624
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIDECYL ISOPHTHALATE

SMILES

CCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCCCC

InChI

InChIKey=XEHITPCNDNWPQW-UHFFFAOYSA-N
InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-17-22-31-27(29)25-20-19-21-26(24-25)28(30)32-23-18-16-14-12-10-8-6-4-2/h19-21,24H,3-18,22-23H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C28H46O4
Molecular Weight 446.6624
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 22:13:37 GMT 2025
Edited
by admin
on Mon Mar 31 22:13:37 GMT 2025
Record UNII
2G87A8R7BO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-17086
Preferred Name English
DIDECYL ISOPHTHALATE
Systematic Name English
Code System Code Type Description
CAS
4654-20-0
Created by admin on Mon Mar 31 22:13:37 GMT 2025 , Edited by admin on Mon Mar 31 22:13:37 GMT 2025
PRIMARY
PUBCHEM
95089
Created by admin on Mon Mar 31 22:13:37 GMT 2025 , Edited by admin on Mon Mar 31 22:13:37 GMT 2025
PRIMARY
NSC
17086
Created by admin on Mon Mar 31 22:13:37 GMT 2025 , Edited by admin on Mon Mar 31 22:13:37 GMT 2025
PRIMARY
FDA UNII
2G87A8R7BO
Created by admin on Mon Mar 31 22:13:37 GMT 2025 , Edited by admin on Mon Mar 31 22:13:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID40196870
Created by admin on Mon Mar 31 22:13:37 GMT 2025 , Edited by admin on Mon Mar 31 22:13:37 GMT 2025
PRIMARY