Ethyl isovalerate
TL;DR: Ethyl isovalerate (CAS 108-64-5) 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.
ethyl 3-methylbutanoate
Also Known As: ETHYL ISOVALERATE, Ethyl 3-methylbutanoate, Ethylisovalerate, Ethyl 3-methylbutyrate, Ethyl isopentanoate
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.09938 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 Da |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
| Melting Point | -99.3 °C |
| Boiling Point | 131.00 to 133.00 °C. @ 760.00 mm Hg |
| Density | 0.862-0.866 |
| Refractive Index | 1.395-1.399 |
| Solubility | 2 mg/mL at 20 °C |
| SMILES | CCOC(=O)CC(C)C |
| InChIKey | PPXUHEORWJQRHJ-UHFFFAOYSA-N |
Product Description
Applications: Ethyl isovalerate 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. 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 isovalerate (CAS 108-64-5) is a pharmaceutical intermediate with the molecular formula C7H14O2 and a molecular weight of 130.1 g/mol. Key physical properties include a density of 0.862-0.866 g/cm³, a solubility: 2 mg/mL at 20 °C. Synonyms include ETHYL ISOVALERATE and Ethyl 3-methylbutanoate.
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 isovalerate
Property Insights of Ethyl isovalerate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isovalerate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isovalerate 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 isovalerate?
The CAS number of Ethyl isovalerate is 108-64-5.
What is the molecular formula of Ethyl isovalerate?
The molecular formula of Ethyl isovalerate is C7H14O2.
What is the molecular weight of Ethyl isovalerate?
The molecular weight of Ethyl isovalerate is 130.09938 g/mol.
What are the applications of Ethyl isovalerate?
Ethyl isovalerate 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. Available from CoreyChem as both catalog item and...
Where can I buy Ethyl isovalerate?
You can request a quote for Ethyl isovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl isovalerate?
Yes, CoreyChem provides custom synthesis services for Ethyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.