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 |
Product Description
Applications: Propyl butyrate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Propyl butyrate (CAS 105-66-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Propyl butyrate (CAS 105-66-8) has the molecular formula C7H14O2 and a molecular weight of 130.1 g/mol. Reported properties include a density of 0.866 - 0.875 g/cm³, a solubility: 1.62 mg/mL at 17 °C. It is also known as Propyl butyrate and Propyl butanoate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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.
What are the applications of Propyl butyrate?
Propyl butyrate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Propyl butyrate (CAS 105-66-8) with...
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.