辛酸乙酯
TL;DR: 辛酸乙酯 (CAS 106-32-1) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛酸乙酯
ethyl octanoate
Also Known As: ETHYL OCTANOATE, Ethyl caprylate, Ethyl n-octanoate, Ethyl octoate, Ethyl octylate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 172.14633 |
| 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 |
| Solubility | 0.0701 mg/mL at 25 °C |
| Refractive Index | 1.417-1.419 |
Chemical Identifiers
| CAS Number | 106-32-1 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC |
| InChIKey | YYZUSRORWSJGET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
辛酸乙酯 (CAS 106-32-1), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: ethyl octanoate.
Chemical Property Profile of 辛酸乙酯
Property Insights of 辛酸乙酯
The XLogP value of 3.5 indicates that 辛酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 辛酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 辛酸乙酯 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
Frequently Asked Questions
What is the CAS number of 辛酸乙酯?
The CAS number of 辛酸乙酯 is 106-32-1.
What is the molecular formula of 辛酸乙酯?
The molecular formula of 辛酸乙酯 is C10H20O2.
What is the molecular weight of 辛酸乙酯?
The molecular weight of 辛酸乙酯 is 172.15 g/mol.
Where can I buy 辛酸乙酯?
You can request a quote for 辛酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 辛酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.