Di-2-ethylhexyl sebacate
TL;DR: Di-2-ethylhexyl sebacate (CAS 122-62-3) is a chemical compound with molecular formula C26H50O4 and molecular weight 426.3709 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-ethylhexyl) decanedioate
Also Known As: Dioctyl sebacate, BIS(2-ETHYLHEXYL) SEBACATE, Bisoflex, Bis(2-ethylhexyl) decanedioate, Plexol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H50O4 |
| Molecular Weight | 426.3709 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Exact Mass | 426.3709 Da |
| Heavy Atoms | 30 |
| Complexity | 370.0 |
| SMILES | CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC |
| InChIKey | VJHINFRRDQUWOJ-UHFFFAOYSA-N |
Chemical Property Profile of Di-2-ethylhexyl sebacate
Property Insights of Di-2-ethylhexyl sebacate
The XLogP value of 9.0 indicates that Di-2-ethylhexyl sebacate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Di-2-ethylhexyl sebacate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-2-ethylhexyl sebacate 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 Di-2-ethylhexyl sebacate?
The CAS number of Di-2-ethylhexyl sebacate is 122-62-3.
What is the molecular formula of Di-2-ethylhexyl sebacate?
The molecular formula of Di-2-ethylhexyl sebacate is C26H50O4.
What is the molecular weight of Di-2-ethylhexyl sebacate?
The molecular weight of Di-2-ethylhexyl sebacate is 426.3709 g/mol.
Where can I buy Di-2-ethylhexyl sebacate?
You can request a quote for Di-2-ethylhexyl sebacate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Di-2-ethylhexyl sebacate?
Yes, CoreyChem provides custom synthesis services for Di-2-ethylhexyl sebacate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.