Triisononyl trimellitate
TL;DR: Triisononyl trimellitate (CAS 53894-23-8) is a chemical compound with molecular formula C36H60O6 and molecular weight 588.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(7-methyloctyl) benzene-1,2,4-tricarboxylate
Also Known As: TRIISONONYL TRIMELLITATE, JAYFLEX TINTM, Triisononyltrimellitate, ADK CIZER C 9N, ADEKA C 9N
| Molecular Formula | C36H60O6 |
|---|---|
| Molecular Weight | 588.44 g/mol |
| LogP | 12.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 27 |
| Exact Mass | 588.43896 |
| Heavy Atoms | 42 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 53894-23-8 |
|---|---|
| SMILES | CC(C)CCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCC(C)C)C(=O)OCCCCCCC(C)C |
| InChIKey | YPDXSCXISVYHOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triisononyl trimellitate (CAS 53894-23-8), with molecular formula C36H60O6 and molecular weight 588.44 g/mol. IUPAC: tris(7-methyloctyl) benzene-1,2,4-tricarboxylate.
Chemical Property Profile of Triisononyl trimellitate
Property Insights of Triisononyl trimellitate
The XLogP value of 12.5 indicates that Triisononyl trimellitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Triisononyl trimellitate. Following Lipinski's Rule of Five, Triisononyl trimellitate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triisononyl trimellitate?
The CAS number of Triisononyl trimellitate is 53894-23-8.
What is the molecular formula of Triisononyl trimellitate?
The molecular formula of Triisononyl trimellitate is C36H60O6.
What is the molecular weight of Triisononyl trimellitate?
The molecular weight of Triisononyl trimellitate is 588.44 g/mol.
Where can I buy Triisononyl trimellitate?
You can request a quote for Triisononyl trimellitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisononyl trimellitate?
Yes, KEHONG BIO provides custom synthesis services for Triisononyl trimellitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.