Tri-n-octyl trimellitate
TL;DR: Tri-n-octyl trimellitate (CAS 89-04-3) is a chemical compound with molecular formula C33H54O6 and molecular weight 546.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trioctyl benzene-1,2,4-tricarboxylate
Also Known As: Trioctyl trimellitate, Trioctyl benzene-1,2,4-tricarboxylate, Totm, TRI-N-OCTYL TRIMELLITATE, Trimex N 08
| Molecular Formula | C33H54O6 |
|---|---|
| Molecular Weight | 546.39 g/mol |
| LogP | 11.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 27 |
| Exact Mass | 546.392 |
| Heavy Atoms | 39 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 89-04-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC |
| InChIKey | JNXDCMUUZNIWPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tri-n-octyl trimellitate (CAS 89-04-3), with molecular formula C33H54O6 and molecular weight 546.39 g/mol. IUPAC: trioctyl benzene-1,2,4-tricarboxylate.
Chemical Property Profile of Tri-n-octyl trimellitate
Property Insights of Tri-n-octyl trimellitate
The XLogP value of 11.7 indicates that Tri-n-octyl 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 Tri-n-octyl trimellitate. Following Lipinski's Rule of Five, Tri-n-octyl 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 Tri-n-octyl trimellitate?
The CAS number of Tri-n-octyl trimellitate is 89-04-3.
What is the molecular formula of Tri-n-octyl trimellitate?
The molecular formula of Tri-n-octyl trimellitate is C33H54O6.
What is the molecular weight of Tri-n-octyl trimellitate?
The molecular weight of Tri-n-octyl trimellitate is 546.39 g/mol.
Where can I buy Tri-n-octyl trimellitate?
You can request a quote for Tri-n-octyl trimellitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tri-n-octyl trimellitate?
Yes, KEHONG BIO provides custom synthesis services for Tri-n-octyl trimellitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.