Pentaerythrityl Tetraethylhexanoate
TL;DR: Pentaerythrityl Tetraethylhexanoate (CAS 7299-99-2) is a chemical compound with molecular formula C37H68O8 and molecular weight 640.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-ethylhexanoyloxy)-2,2-bis(2-ethylhexanoyloxymethyl)propyl] 2-ethylhexanoate
Also Known As: Pentaerythritol tetra(2-ethylhexanoate), DUB PTO, KAK PTO, Pentaerythritol tetraoctanoate, Pentaerythrityl tetraoctanoate
| Molecular Formula | C37H68O8 |
|---|---|
| Molecular Weight | 640.49 g/mol |
| LogP | 11.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 32 |
| Exact Mass | 640.4914 |
| Heavy Atoms | 45 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 7299-99-2 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC |
| InChIKey | DRRMRHKHTQRWMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythrityl Tetraethylhexanoate (CAS 7299-99-2), with molecular formula C37H68O8 and molecular weight 640.49 g/mol. IUPAC: [3-(2-ethylhexanoyloxy)-2,2-bis(2-ethylhexanoyloxymethyl)propyl] 2-ethylhexanoate.
Chemical Property Profile of Pentaerythrityl Tetraethylhexanoate
Property Insights of Pentaerythrityl Tetraethylhexanoate
The XLogP value of 11.3 indicates that Pentaerythrityl Tetraethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythrityl Tetraethylhexanoate. Following Lipinski's Rule of Five, Pentaerythrityl Tetraethylhexanoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaerythrityl Tetraethylhexanoate?
The CAS number of Pentaerythrityl Tetraethylhexanoate is 7299-99-2.
What is the molecular formula of Pentaerythrityl Tetraethylhexanoate?
The molecular formula of Pentaerythrityl Tetraethylhexanoate is C37H68O8.
What is the molecular weight of Pentaerythrityl Tetraethylhexanoate?
The molecular weight of Pentaerythrityl Tetraethylhexanoate is 640.49 g/mol.
Where can I buy Pentaerythrityl Tetraethylhexanoate?
You can request a quote for Pentaerythrityl Tetraethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythrityl Tetraethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythrityl Tetraethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.