Bis(2-ethylhexyl) isophthalate
TL;DR: Bis(2-ethylhexyl) isophthalate (CAS 137-89-3) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-ethylhexyl) benzene-1,3-dicarboxylate
Also Known As: Bis(2-ethylhexyl) isophthalate, Dioctyl isophthalate, DOIP, Flexol plasticizer 380, Di-2-ethylhexyl isophthalate
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 396.0 |
| Solubility | less than 1 mg/mL at 61 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
Chemical Identifiers
| CAS Number | 137-89-3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC |
| InChIKey | WXZOXVVKILCOPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-ethylhexyl) isophthalate (CAS 137-89-3), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: bis(2-ethylhexyl) benzene-1,3-dicarboxylate.
Chemical Property Profile of Bis(2-ethylhexyl) isophthalate
Property Insights of Bis(2-ethylhexyl) isophthalate
The XLogP value of 7.4 indicates that Bis(2-ethylhexyl) isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(2-ethylhexyl) isophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-ethylhexyl) isophthalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2-ethylhexyl) isophthalate?
The CAS number of Bis(2-ethylhexyl) isophthalate is 137-89-3.
What is the molecular formula of Bis(2-ethylhexyl) isophthalate?
The molecular formula of Bis(2-ethylhexyl) isophthalate is C24H38O4.
What is the molecular weight of Bis(2-ethylhexyl) isophthalate?
The molecular weight of Bis(2-ethylhexyl) isophthalate is 390.28 g/mol.
Where can I buy Bis(2-ethylhexyl) isophthalate?
You can request a quote for Bis(2-ethylhexyl) isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-ethylhexyl) isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-ethylhexyl) isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.