Octyl butyrate
TL;DR: Octyl butyrate (CAS 110-39-4) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octyl butanoate
Also Known As: Octyl butyrate, Octyl butanoate, n-Octyl butyrate, n-Octyl n-butyrate, octylbutyrate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.17763 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 200.17763 Da |
| Heavy Atoms | 14 |
| Complexity | 132.0 |
| Melting Point | -55.6 °C |
| Boiling Point | 224.00 to 226.00 °C. @ 760.00 mm Hg |
| Density | 0.8549 (30°) |
| Refractive Index | 1.421-1.434 |
| Solubility | very slightly |
| SMILES | CCCCCCCCOC(=O)CCC |
| InChIKey | PWLNAUNEAKQYLH-UHFFFAOYSA-N |
Chemical Property Profile of Octyl butyrate
Property Insights of Octyl butyrate
The XLogP value of 4.2 indicates that Octyl 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, Octyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl butyrate 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 Octyl butyrate?
The CAS number of Octyl butyrate is 110-39-4.
What is the molecular formula of Octyl butyrate?
The molecular formula of Octyl butyrate is C12H24O2.
What is the molecular weight of Octyl butyrate?
The molecular weight of Octyl butyrate is 200.17763 g/mol.
Where can I buy Octyl butyrate?
You can request a quote for Octyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl butyrate?
Yes, CoreyChem provides custom synthesis services for Octyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.