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Details

Stereochemistry ACHIRAL
Molecular Formula C27H44O4
Molecular Weight 432.6359
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isooctyl isoundecyl phthalate

SMILES

CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C

InChI

InChIKey=ROPQCUSNKJJECC-UHFFFAOYSA-N
InChI=1S/C27H44O4/c1-22(2)16-10-7-5-6-8-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-21-15-9-11-17-23(3)4/h12-13,18-19,22-23H,5-11,14-17,20-21H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C27H44O4
Molecular Weight 432.6359
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 Wed Apr 02 17:21:19 GMT 2025
Edited
by admin
on Wed Apr 02 17:21:19 GMT 2025
Record UNII
BZ4FFW6CRD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-Benzenedicarboxylic acid, isooctyl isoundecyl ester
Preferred Name English
Isooctyl isoundecyl phthalate
Systematic Name English
Code System Code Type Description
FDA UNII
BZ4FFW6CRD
Created by admin on Wed Apr 02 17:21:19 GMT 2025 , Edited by admin on Wed Apr 02 17:21:19 GMT 2025
PRIMARY
ECHA (EC/EINECS)
306-192-5
Created by admin on Wed Apr 02 17:21:19 GMT 2025 , Edited by admin on Wed Apr 02 17:21:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID60242303
Created by admin on Wed Apr 02 17:21:19 GMT 2025 , Edited by admin on Wed Apr 02 17:21:19 GMT 2025
PRIMARY
PUBCHEM
44152037
Created by admin on Wed Apr 02 17:21:19 GMT 2025 , Edited by admin on Wed Apr 02 17:21:19 GMT 2025
PRIMARY
CAS
96532-80-8
Created by admin on Wed Apr 02 17:21:19 GMT 2025 , Edited by admin on Wed Apr 02 17:21:19 GMT 2025
PRIMARY