Butyl butyrate
TL;DR: Butyl butyrate (CAS 109-21-7) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl butanoate
Also Known As: Butyl butyrate, Butyl butanoate, n-Butyl butyrate, Butyl butylate, n-Butyl butanoate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.11504 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 144.11504 Da |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
| Melting Point | -133 °F (USCG, 1999) |
| Boiling Point | 332 °F at 760 mmHg (USCG, 1999) |
| Density | 0.872 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 128 °F (USCG, 1999) |
| Vapor Pressure | 10.34 mmHg (USCG, 1999) |
| Refractive Index | 1.405-1.407 |
| Solubility | 0.5 mg/mL at 20 °C |
| SMILES | CCCCOC(=O)CCC |
| InChIKey | XUPYJHCZDLZNFP-UHFFFAOYSA-N |
Product Description
Applications: Butyl butyrate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl butyrate (CAS 109-21-7) 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, Butyl butyrate (CAS 109-21-7) has the molecular formula C8H16O2 and a molecular weight of 144.12 g/mol. Reported properties include a density of 0.872 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 0.5 mg/mL at 20 °C. It is also known as Butyl butyrate and Butyl 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 Butyl butyrate
Property Insights of Butyl butyrate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl butyrate?
The CAS number of Butyl butyrate is 109-21-7.
What is the molecular formula of Butyl butyrate?
The molecular formula of Butyl butyrate is C8H16O2.
What is the molecular weight of Butyl butyrate?
The molecular weight of Butyl butyrate is 144.11504 g/mol.
What are the applications of Butyl butyrate?
Butyl butyrate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl butyrate (CAS 109-21-7) with custom...
Where can I buy Butyl butyrate?
You can request a quote for Butyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl butyrate?
Yes, CoreyChem provides custom synthesis services for Butyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.