Diisooctyl Adipate
TL;DR: Diisooctyl Adipate (CAS 108-63-4) is a chemical compound with molecular formula C22H42O4 and molecular weight 370.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctan-2-yl hexanedioate
Also Known As: Dicapryl adipate, DIISOOCTYL ADIPATE, Isooctyl adipate, Disooctyl adipate, dioctan-2-yl hexanedioate
| Molecular Formula | C22H42O4 |
|---|---|
| Molecular Weight | 370.31 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 370.30832 |
| Heavy Atoms | 26 |
| Complexity | 320.0 |
| Melting Point | -70 °C |
| Boiling Point | 205-220 °C @ 4 mm HG |
| Density | 0.930 @ 20 °C |
| Flash Point | 210 °C (210.0 °C) |
| Vapor Pressure | 0.0000265 [mmHg] |
Chemical Identifiers
| CAS Number | 108-63-4 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)CCCCC(=O)OC(C)CCCCCC |
| InChIKey | RTUMJAGKSDIHOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisooctyl Adipate (CAS 108-63-4), with molecular formula C22H42O4 and molecular weight 370.31 g/mol. IUPAC: dioctan-2-yl hexanedioate.
Chemical Property Profile of Diisooctyl Adipate
Property Insights of Diisooctyl Adipate
The XLogP value of 7.2 indicates that Diisooctyl Adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diisooctyl Adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisooctyl Adipate 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 Diisooctyl Adipate?
The CAS number of Diisooctyl Adipate is 108-63-4.
What is the molecular formula of Diisooctyl Adipate?
The molecular formula of Diisooctyl Adipate is C22H42O4.
What is the molecular weight of Diisooctyl Adipate?
The molecular weight of Diisooctyl Adipate is 370.31 g/mol.
Where can I buy Diisooctyl Adipate?
You can request a quote for Diisooctyl Adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisooctyl Adipate?
Yes, KEHONG BIO provides custom synthesis services for Diisooctyl Adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.