Ethyl octanoate
TL;DR: Ethyl octanoate (CAS 106-32-1) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
辛酸乙酯
ethyl octanoate
Also Known As: ETHYL OCTANOATE, Ethyl caprylate, Ethyl n-octanoate, Ethyl octoate, Ethyl octylate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.14633 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 172.14633 Da |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
| Melting Point | -43.1 °C |
| Boiling Point | 206.00 to 208.00 °C. @ 760.00 mm Hg |
| Density | 0.865-0.868 |
| Refractive Index | 1.417-1.419 |
| Solubility | 0.0701 mg/mL at 25 °C |
| SMILES | CCCCCCCC(=O)OCC |
| InChIKey | YYZUSRORWSJGET-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl octanoate
Property Insights of Ethyl octanoate
The XLogP value of 3.5 indicates that Ethyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl octanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl octanoate?
The CAS number of Ethyl octanoate is 106-32-1.
What is the molecular formula of Ethyl octanoate?
The molecular formula of Ethyl octanoate is C10H20O2.
What is the molecular weight of Ethyl octanoate?
The molecular weight of Ethyl octanoate is 172.14633 g/mol.
Where can I buy Ethyl octanoate?
You can request a quote for Ethyl octanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl octanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.