Butyl nonanoate
TL;DR: Butyl nonanoate (CAS 50623-57-9) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
壬酸丁酯
butyl nonanoate
Also Known As: BUTYL NONANOATE, Butyl nonan-1-oate, Butyl pelargonate, Nonanoic acid, butyl ester, butylnonan-1-oate
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.19328 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 214.19328 Da |
| Heavy Atoms | 15 |
| Complexity | 143.0 |
| SMILES | CCCCCCCCC(=O)OCCCC |
| InChIKey | DOLFPCDDMUMIMR-UHFFFAOYSA-N |
Chemical Property Profile of Butyl nonanoate
Property Insights of Butyl nonanoate
The XLogP value of 4.9 indicates that Butyl nonanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl nonanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl nonanoate 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 Butyl nonanoate?
The CAS number of Butyl nonanoate is 50623-57-9.
What is the molecular formula of Butyl nonanoate?
The molecular formula of Butyl nonanoate is C13H26O2.
What is the molecular weight of Butyl nonanoate?
The molecular weight of Butyl nonanoate is 214.19328 g/mol.
Where can I buy Butyl nonanoate?
You can request a quote for Butyl nonanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl nonanoate?
Yes, CoreyChem provides custom synthesis services for Butyl nonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.