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

Details

Stereochemistry MIXED
Molecular Formula C24H38O4
Molecular Weight 390.5561
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DI(2-OCTYL) PHTHALATE

SMILES

CCCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)CCCCCC

InChI

InChIKey=RLRMXWDXPLINPJ-UHFFFAOYSA-N
InChI=1S/C24H38O4/c1-5-7-9-11-15-19(3)27-23(25)21-17-13-14-18-22(21)24(26)28-20(4)16-12-10-8-6-2/h13-14,17-20H,5-12,15-16H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C24H38O4
Molecular Weight 390.5561
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:52:18 GMT 2023
Edited
by admin
on Sat Dec 16 12:52:18 GMT 2023
Record UNII
DM00F2G7X0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DI(2-OCTYL) PHTHALATE
Systematic Name English
BIS(1-METHYLHEPTYL) PHTHALATE
Systematic Name English
DI-SEC-OCTYL PHTHALATE
Systematic Name English
NSC-3926
Code English
1,2-BENZENEDICARBOXYLIC ACID, 1,2-BIS(1-METHYLHEPTYL) ESTER)
Systematic Name English
GENOMOLL 100
Brand Name English
Code System Code Type Description
CAS
131-15-7
Created by admin on Sat Dec 16 12:52:18 GMT 2023 , Edited by admin on Sat Dec 16 12:52:18 GMT 2023
PRIMARY
PUBCHEM
8558
Created by admin on Sat Dec 16 12:52:18 GMT 2023 , Edited by admin on Sat Dec 16 12:52:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID0051655
Created by admin on Sat Dec 16 12:52:18 GMT 2023 , Edited by admin on Sat Dec 16 12:52:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-014-2
Created by admin on Sat Dec 16 12:52:18 GMT 2023 , Edited by admin on Sat Dec 16 12:52:18 GMT 2023
PRIMARY
CHEBI
17747
Created by admin on Sat Dec 16 12:52:18 GMT 2023 , Edited by admin on Sat Dec 16 12:52:18 GMT 2023
PRIMARY
NSC
3926
Created by admin on Sat Dec 16 12:52:18 GMT 2023 , Edited by admin on Sat Dec 16 12:52:18 GMT 2023
PRIMARY
FDA UNII
DM00F2G7X0
Created by admin on Sat Dec 16 12:52:18 GMT 2023 , Edited by admin on Sat Dec 16 12:52:18 GMT 2023
PRIMARY