Dioctyl Adipate
TL;DR: Dioctyl Adipate (CAS 123-79-5) is a chemical compound with molecular formula C22H42O4 and molecular weight 370.30832 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
己二酸二辛酯
dioctyl hexanedioate
Also Known As: Dioctyl adipate, Dioctyl hexanedioate, Di-n-octyl adipate, Octyl adipate, Adimoll DO
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H42O4 |
| Molecular Weight | 370.30832 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 370.30832 Da |
| Heavy Atoms | 26 |
| Complexity | 296.0 |
| Melting Point | 7.49 °C (280.65 K) |
| Boiling Point | Normal Boiling Point: 404.84 °C (687 K) |
| Density | 1.2145X10+8 kmol/cu m @ 7.49 °C (280.65 K) |
| Vapor Pressure | 0.00000085 [mmHg] |
| Refractive Index | Index of refraction: 1.45 (determined at 293 K) |
| Solubility | INSOL IN WATER @ 25 °C; INSOL OR VERY SLIGHTLY SOL IN GLYCERINE & GLYCOLS; SOL IN MOST ORGANIC SOLVENTS |
| SMILES | CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC |
| InChIKey | NEHDRDVHPTWWFG-UHFFFAOYSA-N |
Chemical Property Profile of Dioctyl Adipate
Property Insights of Dioctyl Adipate
The XLogP value of 7.4 indicates that Dioctyl 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, Dioctyl Adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioctyl Adipate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dioctyl Adipate?
The CAS number of Dioctyl Adipate is 123-79-5.
What is the molecular formula of Dioctyl Adipate?
The molecular formula of Dioctyl Adipate is C22H42O4.
What is the molecular weight of Dioctyl Adipate?
The molecular weight of Dioctyl Adipate is 370.30832 g/mol.
Where can I buy Dioctyl Adipate?
You can request a quote for Dioctyl Adipate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dioctyl Adipate?
Yes, CoreyChem provides custom synthesis services for Dioctyl Adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.