Ethyl butyrate
TL;DR: Ethyl butyrate (CAS 105-54-4) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl butanoate
Also Known As: ETHYL BUTYRATE, Ethyl butanoate, Ethyl n-butyrate, Butyric acid ethyl ester, Butyric ether
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08373 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.08373 Da |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
| Melting Point | -135 °F (USCG, 1999) |
| Boiling Point | 250 °F at 760 mmHg (USCG, 1999) |
| Density | 0.879 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 75 °F (USCG, 1999) |
| Vapor Pressure | 12.8 [mmHg] |
| Refractive Index | Index of refraction: 1.3898 at 25 °C |
| Solubility | In water, 4.9X10+3 mg/L at 20 °C |
| SMILES | CCCC(=O)OCC |
| InChIKey | OBNCKNCVKJNDBV-UHFFFAOYSA-N |
Product Description
Applications: Ethyl 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Ethyl butyrate (CAS 105-54-4) is a pharmaceutical intermediate with the molecular formula C6H12O2 and a molecular weight of 116.08 g/mol. Key physical properties include a density of 0.879 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: In water, 4.9X10+3 mg/L at 20 °C. Synonyms include ETHYL BUTYRATE and Ethyl 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 Ethyl butyrate
Property Insights of Ethyl butyrate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl butyrate?
The CAS number of Ethyl butyrate is 105-54-4.
What is the molecular formula of Ethyl butyrate?
The molecular formula of Ethyl butyrate is C6H12O2.
What is the molecular weight of Ethyl butyrate?
The molecular weight of Ethyl butyrate is 116.08373 g/mol.
What are the applications of Ethyl butyrate?
Ethyl 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. Available from CoreyChem as both catalog item and...
Where can I buy Ethyl butyrate?
You can request a quote for Ethyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl butyrate?
Yes, CoreyChem provides custom synthesis services for Ethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.