Decanoic acid, mixed triesters with octanoic acid and pentaerythritol
TL;DR: Decanoic acid, mixed triesters with octanoic acid and pentaerythritol (CAS 68441-68-9) is a chemical compound with molecular formula C23H48O8 and molecular weight 452.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;octanoic acid
Also Known As: Pentaerythrityl tetracaprylate/caprate, Pentaerythritol, caprylate caprate tetraester, Pentaerythritol Tetracaprate/tetracaprylate, Octanoic acid, decanoic acid, pentaerythritol ester, Pentaerythritol caprylic acid capric acid mixed esters
| Molecular Formula | C23H48O8 |
|---|---|
| Molecular Weight | 452.33 g/mol |
| LogP | 3.59 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 452.33493 |
| Heavy Atoms | 31 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 68441-68-9 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.C(C(CO)(CO)CO)O |
| InChIKey | GFFYVKLAGBXHIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decanoic acid, mixed triesters with octanoic acid and pentaerythritol (CAS 68441-68-9), with molecular formula C23H48O8 and molecular weight 452.33 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;octanoic acid.
Chemical Property Profile of Decanoic acid, mixed triesters with octanoic acid and pentaerythritol
Property Insights of Decanoic acid, mixed triesters with octanoic acid and pentaerythritol
The XLogP value of 3.59 indicates that Decanoic acid, mixed triesters with octanoic acid and pentaerythritol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Decanoic acid, mixed triesters with octanoic acid and pentaerythritol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Decanoic acid, mixed triesters with octanoic acid and pentaerythritol has 6 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 Decanoic acid, mixed triesters with octanoic acid and pentaerythritol?
The CAS number of Decanoic acid, mixed triesters with octanoic acid and pentaerythritol is 68441-68-9.
What is the molecular formula of Decanoic acid, mixed triesters with octanoic acid and pentaerythritol?
The molecular formula of Decanoic acid, mixed triesters with octanoic acid and pentaerythritol is C23H48O8.
What is the molecular weight of Decanoic acid, mixed triesters with octanoic acid and pentaerythritol?
The molecular weight of Decanoic acid, mixed triesters with octanoic acid and pentaerythritol is 452.33 g/mol.
Where can I buy Decanoic acid, mixed triesters with octanoic acid and pentaerythritol?
You can request a quote for Decanoic acid, mixed triesters with octanoic acid and pentaerythritol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decanoic acid, mixed triesters with octanoic acid and pentaerythritol?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid, mixed triesters with octanoic acid and pentaerythritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.