Pentaerythrityl Tetrapelargonate
TL;DR: Pentaerythrityl Tetrapelargonate (CAS 14450-05-6) is a chemical compound with molecular formula C41H76O8 and molecular weight 696.554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-nonanoyloxy-2,2-bis(nonanoyloxymethyl)propyl] nonanoate
Also Known As: Pentaerythritol tetranonanoate, Pentaerythrityl tetrapelargonate, PELEMOL PTP, pentaerythritol nonanoate, pentaerythritol tetrapelargonate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C41H76O8 |
| Molecular Weight | 696.554 g/mol |
| XLogP | 14.0 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 40 |
| Exact Mass | 696.554 Da |
| Heavy Atoms | 49 |
| Complexity | 678.0 |
| SMILES | CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC |
| InChIKey | IBKKMFMBXQARGV-UHFFFAOYSA-N |
Chemical Property Profile of Pentaerythrityl Tetrapelargonate
Property Insights of Pentaerythrityl Tetrapelargonate
The XLogP value of 14.0 indicates that Pentaerythrityl Tetrapelargonate 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 Tetrapelargonate. Following Lipinski's Rule of Five, Pentaerythrityl Tetrapelargonate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentaerythrityl Tetrapelargonate?
The CAS number of Pentaerythrityl Tetrapelargonate is 14450-05-6.
What is the molecular formula of Pentaerythrityl Tetrapelargonate?
The molecular formula of Pentaerythrityl Tetrapelargonate is C41H76O8.
What is the molecular weight of Pentaerythrityl Tetrapelargonate?
The molecular weight of Pentaerythrityl Tetrapelargonate is 696.554 g/mol.
Where can I buy Pentaerythrityl Tetrapelargonate?
You can request a quote for Pentaerythrityl Tetrapelargonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentaerythrityl Tetrapelargonate?
Yes, CoreyChem provides custom synthesis services for Pentaerythrityl Tetrapelargonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.