Pentaerythritol trilaurate
TL;DR: Pentaerythritol trilaurate (CAS 67874-04-8) is a chemical compound with molecular formula C41H78O7 and molecular weight 682.57477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2,2-bis(dodecanoyloxymethyl)-3-hydroxypropyl] dodecanoate
Also Known As: Pentaerythritol trilaurate, Pentaerythritol tridodecanoate, 2-2-[[oxy]methyl]propane-1,3-diyldilaurate, 2- -2-[[ oxy]methyl]propane-1,3-diyldilaurate, [2,2-bis(dodecanoyloxymethyl)-3-hydroxypropyl] dodecanoate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C41H78O7 |
| Molecular Weight | 682.57477 g/mol |
| XLogP | 14.8 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 40 |
| Exact Mass | 682.57477 Da |
| Heavy Atoms | 48 |
| Complexity | 645.0 |
| SMILES | CCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC |
| InChIKey | CYCUQBHCRPDWQM-UHFFFAOYSA-N |
Chemical Property Profile of Pentaerythritol trilaurate
Property Insights of Pentaerythritol trilaurate
The XLogP value of 14.8 indicates that Pentaerythritol trilaurate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol trilaurate. Following Lipinski's Rule of Five, Pentaerythritol trilaurate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentaerythritol trilaurate?
The CAS number of Pentaerythritol trilaurate is 67874-04-8.
What is the molecular formula of Pentaerythritol trilaurate?
The molecular formula of Pentaerythritol trilaurate is C41H78O7.
What is the molecular weight of Pentaerythritol trilaurate?
The molecular weight of Pentaerythritol trilaurate is 682.57477 g/mol.
Where can I buy Pentaerythritol trilaurate?
You can request a quote for Pentaerythritol trilaurate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentaerythritol trilaurate?
Yes, CoreyChem provides custom synthesis services for Pentaerythritol trilaurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.