Octadecyl butyrate
TL;DR: Octadecyl butyrate (CAS 13373-83-6) is a chemical compound with molecular formula C22H44O2 and molecular weight 340.33414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octadecyl butanoate
Also Known As: Octadecyl butyrate, Octadecyl butanoate, Butyric acid, octadecyl ester, Butanoic acid, octadecyl ester, Butyric acid octadecyl ester
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H44O2 |
| Molecular Weight | 340.33414 g/mol |
| XLogP | 9.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 340.33414 Da |
| Heavy Atoms | 24 |
| Complexity | 250.0 |
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCC |
| InChIKey | VTTIDPAZLXIGNF-UHFFFAOYSA-N |
Chemical Property Profile of Octadecyl butyrate
Property Insights of Octadecyl butyrate
The XLogP value of 9.7 indicates that Octadecyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octadecyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl butyrate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octadecyl butyrate?
The CAS number of Octadecyl butyrate is 13373-83-6.
What is the molecular formula of Octadecyl butyrate?
The molecular formula of Octadecyl butyrate is C22H44O2.
What is the molecular weight of Octadecyl butyrate?
The molecular weight of Octadecyl butyrate is 340.33414 g/mol.
Where can I buy Octadecyl butyrate?
You can request a quote for Octadecyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octadecyl butyrate?
Yes, CoreyChem provides custom synthesis services for Octadecyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.