壬酸乙酯
TL;DR: 壬酸乙酯 (CAS 123-29-5) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
壬酸乙酯
ethyl nonanoate
Also Known As: ETHYL NONANOATE, Ethyl pelargonate, Wine ether, Nonanoic acid, ethyl ester, Ethyl nonylate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
| Melting Point | -44.5 °C |
| Boiling Point | 119.00 °C. @ 23.00 mm Hg |
| Density | 0.863-0.867 |
| Solubility | 0.0295 mg/mL at 25 °C |
| Refractive Index | 1.420-1.424 |
Chemical Identifiers
| CAS Number | 123-29-5 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC |
| InChIKey | BYEVBITUADOIGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
壬酸乙酯 (CAS 123-29-5), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: ethyl nonanoate.
Chemical Property Profile of 壬酸乙酯
Property Insights of 壬酸乙酯
The XLogP value of 4.0 indicates that 壬酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 壬酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 壬酸乙酯 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 壬酸乙酯?
The CAS number of 壬酸乙酯 is 123-29-5.
What is the molecular formula of 壬酸乙酯?
The molecular formula of 壬酸乙酯 is C11H22O2.
What is the molecular weight of 壬酸乙酯?
The molecular weight of 壬酸乙酯 is 186.16 g/mol.
Where can I buy 壬酸乙酯?
You can request a quote for 壬酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 壬酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 壬酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.