己酸乙酯
TL;DR: 己酸乙酯 (CAS 123-66-0) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己酸乙酯
ethyl hexanoate
Also Known As: Ethyl caproate, ETHYL HEXANOATE, Ethyl hexoate, Hexanoic acid, ethyl ester, Hexanoic Acid Ethyl Ester
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
| Melting Point | -67.5 °C |
| Boiling Point | 166.00 to 168.00 °C. @ 760.00 mm Hg |
| Density | 0.867-0.871 |
| Solubility | 0.629 mg/mL at 25 °C |
| Vapor Pressure | 1.56 [mmHg] |
| Refractive Index | 1.406-1.409 |
Chemical Identifiers
| CAS Number | 123-66-0 |
|---|---|
| SMILES | CCCCCC(=O)OCC |
| InChIKey | SHZIWNPUGXLXDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己酸乙酯 (CAS 123-66-0), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: ethyl hexanoate.
Chemical Property Profile of 己酸乙酯
Property Insights of 己酸乙酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 己酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己酸乙酯 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 己酸乙酯?
The CAS number of 己酸乙酯 is 123-66-0.
What is the molecular formula of 己酸乙酯?
The molecular formula of 己酸乙酯 is C8H16O2.
What is the molecular weight of 己酸乙酯?
The molecular weight of 己酸乙酯 is 144.12 g/mol.
Where can I buy 己酸乙酯?
You can request a quote for 己酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 己酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.