Trioctyl trimellitate
TL;DR: Trioctyl trimellitate (CAS 3319-31-1) 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.
tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
Also Known As: Trioctyl trimellitate, Totm, Kodaflex TOTM, TRIS(2-ETHYLHEXYL) TRIMELLITATE, Staflex TOTM
| Molecular Formula | C33H54O6 |
|---|---|
| Molecular Weight | 546.39 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 546.392 |
| Heavy Atoms | 39 |
| Complexity | 677.0 |
| Melting Point | -46 °C |
| Boiling Point | 414 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
Chemical Identifiers
| CAS Number | 3319-31-1 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC |
| InChIKey | KRADHMIOFJQKEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trioctyl trimellitate (CAS 3319-31-1), with molecular formula C33H54O6 and molecular weight 546.39 g/mol. IUPAC: tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate.
Chemical Property Profile of Trioctyl trimellitate
Property Insights of Trioctyl trimellitate
The XLogP value of 10.4 indicates that Trioctyl 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 Trioctyl trimellitate. Following Lipinski's Rule of Five, Trioctyl 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 Trioctyl trimellitate?
The CAS number of Trioctyl trimellitate is 3319-31-1.
What is the molecular formula of Trioctyl trimellitate?
The molecular formula of Trioctyl trimellitate is C33H54O6.
What is the molecular weight of Trioctyl trimellitate?
The molecular weight of Trioctyl trimellitate is 546.39 g/mol.
Where can I buy Trioctyl trimellitate?
You can request a quote for Trioctyl trimellitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trioctyl trimellitate?
Yes, KEHONG BIO provides custom synthesis services for Trioctyl trimellitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.