Butyl isovalerate
TL;DR: Butyl isovalerate (CAS 109-19-3) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 3-methylbutanoate
Also Known As: BUTYL ISOVALERATE, Butyl 3-methylbutanoate, Butyl isopentanoate, n-Butyl isovalerate, 1-Butyl isovalerate
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
| Boiling Point | 150 °C |
| Density | 0.87 |
| Flash Point | 53 °C |
| Refractive Index | 1.407-1.411 |
| Solubility | Insol in water; sol in most organic solvents |
| SMILES | CCCCOC(=O)CC(C)C |
| InChIKey | AYWJSCLAAPJZEF-UHFFFAOYSA-N |
Product Description
Applications: Butyl isovalerate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl isovalerate (CAS 109-19-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Butyl isovalerate (CAS 109-19-3) is a heterocyclic building block with the molecular formula C9H18O2 and a molecular weight of 158.13 g/mol. Key physical properties include a density of 0.87 g/cm³, a solubility: Insol in water; sol in most organic solvents. It is also known as BUTYL ISOVALERATE and Butyl 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 Butyl isovalerate
Property Insights of Butyl isovalerate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl isovalerate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl isovalerate?
The CAS number of Butyl isovalerate is 109-19-3.
What is the molecular formula of Butyl isovalerate?
The molecular formula of Butyl isovalerate is C9H18O2.
What is the molecular weight of Butyl isovalerate?
The molecular weight of Butyl isovalerate is 158.13068 g/mol.
What are the applications of Butyl isovalerate?
Butyl isovalerate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl isovalerate (CAS 109-19-3) with...
Where can I buy Butyl isovalerate?
You can request a quote for Butyl isovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl isovalerate?
Yes, CoreyChem provides custom synthesis services for Butyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.