Propyl butyrate
TL;DR: Propyl butyrate (CAS 105-66-8) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
丁酸丙酯
propyl butanoate
Also Known As: Propyl butyrate, Propyl butanoate, Propyl n-butyrate, Butanoic acid, propyl ester, 1-Propyl butyrate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.09938 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.09938 Da |
| Heavy Atoms | 9 |
| Complexity | 79.0 |
| Melting Point | -95.2 °C |
| Boiling Point | 142.00 to 143.00 °C. @ 760.00 mm Hg |
| Density | 0.866 - 0.875 |
| Vapor Pressure | 5.95 [mmHg] |
| Refractive Index | 1.395-1.405 |
| Solubility | 1.62 mg/mL at 17 °C |
| SMILES | CCCC(=O)OCCC |
| InChIKey | HUAZGNHGCJGYNP-UHFFFAOYSA-N |
Chemical Property Profile of Propyl butyrate
Property Insights of Propyl butyrate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl butyrate?
The CAS number of Propyl butyrate is 105-66-8.
What is the molecular formula of Propyl butyrate?
The molecular formula of Propyl butyrate is C7H14O2.
What is the molecular weight of Propyl butyrate?
The molecular weight of Propyl butyrate is 130.09938 g/mol.
Where can I buy Propyl butyrate?
You can request a quote for Propyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propyl butyrate?
Yes, CoreyChem provides custom synthesis services for Propyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.