Butyl isovalerate
TL;DR: Butyl isovalerate (CAS 109-19-3) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-methylbutanoate
Also Known As: BUTYL ISOVALERATE, Butyl 3-methylbutanoate, Butyl isopentanoate, n-Butyl isovalerate, 1-Butyl isovalerate
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
| Boiling Point | 150 °C |
| Density | 0.87 |
| Solubility | Insol in water; sol in most organic solvents |
| Flash Point | 53 °C |
| Refractive Index | 1.407-1.411 |
Chemical Identifiers
| CAS Number | 109-19-3 |
|---|---|
| SMILES | CCCCOC(=O)CC(C)C |
| InChIKey | AYWJSCLAAPJZEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl isovalerate (CAS 109-19-3), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: butyl 3-methylbutanoate.
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
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 158.13 g/mol.
Where can I buy Butyl isovalerate?
You can request a quote for Butyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Butyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.