Ethyl isobutyrate
TL;DR: Ethyl isobutyrate (CAS 97-62-1) 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 2-methylpropanoate
Also Known As: ETHYL ISOBUTYRATE, Ethyl 2-methylpropanoate, Ethylisobutyrate, Ethyl isobutanoate, Isobutyric acid ethyl ester
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08373 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 Da |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| Melting Point | -88.2 °C |
| Boiling Point | 112.00 to 113.00 °C. @ 760.00 mm Hg |
| Density | 0.862-0.868 |
| Flash Point | less than 70 °F (NFPA, 2010) |
| Vapor Pressure | 25.4 [mmHg] |
| Refractive Index | 1.385-1.391 |
| Solubility | very soluble in ether |
| SMILES | CCOC(=O)C(C)C |
| InChIKey | WDAXFOBOLVPGLV-UHFFFAOYSA-N |
Product Description
Applications: Ethyl isobutyrate 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 isobutyrate (CAS 97-62-1) 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 0.862-0.868 g/cm³, a solubility: very soluble in ether. Synonyms include ETHYL ISOBUTYRATE and Ethyl 2-methylpropanoate.
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 isobutyrate
Property Insights of Ethyl isobutyrate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isobutyrate 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 isobutyrate?
The CAS number of Ethyl isobutyrate is 97-62-1.
What is the molecular formula of Ethyl isobutyrate?
The molecular formula of Ethyl isobutyrate is C6H12O2.
What is the molecular weight of Ethyl isobutyrate?
The molecular weight of Ethyl isobutyrate is 116.08373 g/mol.
What are the applications of Ethyl isobutyrate?
Ethyl isobutyrate 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 isobutyrate?
You can request a quote for Ethyl isobutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl isobutyrate?
Yes, CoreyChem provides custom synthesis services for Ethyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.