异丁酸丁酯
TL;DR: 异丁酸丁酯 (CAS 97-87-0) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁酸丁酯
butyl 2-methylpropanoate
Also Known As: Butyl isobutyrate, Butyl 2-methylpropanoate, Butyl isobutanoate, n-Butyl isobutyrate, Isobutyric acid, butyl ester
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
| Melting Point | < 25 °C |
| Boiling Point | 156.00 to 158.00 °C. @ 760.00 mm Hg |
| Density | 0.859-0.864 |
| Solubility | miscible in alcohol, ether, most fixed oils; insoluble in glycerin, propylene glycol, water |
| Refractive Index | 1.401-1.404 |
Chemical Identifiers
| CAS Number | 97-87-0 |
|---|---|
| SMILES | CCCCOC(=O)C(C)C |
| InChIKey | JSLCOZYBKYHZNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁酸丁酯 (CAS 97-87-0), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: butyl 2-methylpropanoate.
Chemical Property Profile of 异丁酸丁酯
Property Insights of 异丁酸丁酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丁酸丁酯. With a topological polar surface area (TPSA) of 26.3 Ų, 异丁酸丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁酸丁酯 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 异丁酸丁酯?
The CAS number of 异丁酸丁酯 is 97-87-0.
What is the molecular formula of 异丁酸丁酯?
The molecular formula of 异丁酸丁酯 is C8H16O2.
What is the molecular weight of 异丁酸丁酯?
The molecular weight of 异丁酸丁酯 is 144.12 g/mol.
Where can I buy 异丁酸丁酯?
You can request a quote for 异丁酸丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁酸丁酯?
Yes, KEHONG BIO provides custom synthesis services for 异丁酸丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.