Butyl isobutyrate
TL;DR: Butyl isobutyrate (CAS 97-87-0) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 2-methylpropanoate
Also Known As: Butyl isobutyrate, Butyl 2-methylpropanoate, Butyl isobutanoate, n-Butyl isobutyrate, Isobutyric acid, butyl ester
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.11504 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 Da |
| 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 |
| Refractive Index | 1.401-1.404 |
| Solubility | miscible in alcohol, ether, most fixed oils; insoluble in glycerin, propylene glycol, water |
| SMILES | CCCCOC(=O)C(C)C |
| InChIKey | JSLCOZYBKYHZNL-UHFFFAOYSA-N |
Product Description
Applications: Butyl isobutyrate is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl isobutyrate (CAS 97-87-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, Butyl isobutyrate (CAS 97-87-0) has the molecular formula C8H16O2 and a molecular weight of 144.12 g/mol. Reported properties include a density of 0.859-0.864 g/cm³, a solubility: miscible in alcohol, ether, most fixed oils; insoluble in glycerin, propylene glycol, water. It is also known as Butyl isobutyrate and Butyl 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 Butyl isobutyrate
Property Insights of Butyl isobutyrate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl isobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl isobutyrate?
The CAS number of Butyl isobutyrate is 97-87-0.
What is the molecular formula of Butyl isobutyrate?
The molecular formula of Butyl isobutyrate is C8H16O2.
What is the molecular weight of Butyl isobutyrate?
The molecular weight of Butyl isobutyrate is 144.11504 g/mol.
What are the applications of Butyl isobutyrate?
Butyl isobutyrate is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl...
Where can I buy Butyl isobutyrate?
You can request a quote for Butyl isobutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl isobutyrate?
Yes, CoreyChem provides custom synthesis services for Butyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.