Tricaprylin
TL;DR: Tricaprylin (CAS 538-23-8) is a chemical compound with molecular formula C27H50O6 and molecular weight 470.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-di(octanoyloxy)propyl octanoate
Also Known As: Tricaprylin, Trioctanoin, Tricaprilin, Rato, Caprylin
| Molecular Formula | C27H50O6 |
|---|---|
| Molecular Weight | 470.36 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Exact Mass | 470.36075 |
| Heavy Atoms | 33 |
| Complexity | 461.0 |
| Melting Point | 10.0 °C |
| Boiling Point | 233.1 °C at 760 mmHg |
| Density | 0.954 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 177.2 °C |
| Vapor Pressure | 3 mmHg at 25.0 °C ; 13 mmHg at 50.0 °C |
| Refractive Index | 1.4482 at 20 °C |
Chemical Identifiers
| CAS Number | 538-23-8 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC |
| InChIKey | VLPFTAMPNXLGLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tricaprylin (CAS 538-23-8), with molecular formula C27H50O6 and molecular weight 470.36 g/mol. IUPAC: 2,3-di(octanoyloxy)propyl octanoate.
Chemical Property Profile of Tricaprylin
Property Insights of Tricaprylin
The XLogP value of 8.9 indicates that Tricaprylin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tricaprylin. Following Lipinski's Rule of Five, Tricaprylin has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tricaprylin?
The CAS number of Tricaprylin is 538-23-8.
What is the molecular formula of Tricaprylin?
The molecular formula of Tricaprylin is C27H50O6.
What is the molecular weight of Tricaprylin?
The molecular weight of Tricaprylin is 470.36 g/mol.
Where can I buy Tricaprylin?
You can request a quote for Tricaprylin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tricaprylin?
Yes, KEHONG BIO provides custom synthesis services for Tricaprylin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.