TL;DR: Butyl palmitate (CAS 111-06-8) is a chemical compound with molecular formula C20H40O2 and molecular weight 312.30283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
棕榈酸丁酯
butyl hexadecanoate
Also Known As: BUTYL PALMITATE, Butyl hexadecanoate, n-Butyl palmitate, Hexadecanoic acid, butyl ester, n-Butyl hexadecanoate
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H40O2 |
| Molecular Weight | 312.30283 g/mol |
| XLogP | 8.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 312.30283 Da |
| Heavy Atoms | 22 |
| Complexity | 226.0 |
| Vapor Pressure | 0.0000172 [mmHg] |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCCCC |
| InChIKey | GLYJVQDYLFAUFC-UHFFFAOYSA-N |
The XLogP value of 8.7 indicates that Butyl palmitate 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 palmitate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl palmitate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Butyl palmitate is 111-06-8.
The molecular formula of Butyl palmitate is C20H40O2.
The molecular weight of Butyl palmitate is 312.30283 g/mol.
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