Isobutyric Acid
TL;DR: Isobutyric Acid (CAS 79-31-2) is a chemical compound with molecular formula C4H8O2 and molecular weight 88.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
异丁酸
2-methylpropanoic acid
Also Known As: ISOBUTYRIC ACID, 2-Methylpropanoic acid, Isobutanoic acid, Iso-butyric acid, 2-Methylpropionic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8O2 |
| Molecular Weight | 88.05243 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.05243 Da |
| Heavy Atoms | 6 |
| Complexity | 56.0 |
| Melting Point | -51 °F (USCG, 1999) |
| Boiling Point | 309 °F at 760 mmHg (USCG, 1999) |
| Density | 0.949 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 132 °F (NFPA, 2010) |
| Vapor Pressure | 1.81 [mmHg] |
| Refractive Index | Index of refraction: 1.3930 at 20 °C/D |
| Solubility | 167000 |
| SMILES | CC(C)C(=O)O |
| InChIKey | KQNPFQTWMSNSAP-UHFFFAOYSA-N |
Product Description
Applications: Isobutyric Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyric Acid (CAS 79-31-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isobutyric Acid (CAS 79-31-2) is a pharmaceutical intermediate with the molecular formula C4H8O2 and a molecular weight of 88.05 g/mol. Key physical properties include a density of 0.949 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 167000. It is also known as ISOBUTYRIC ACID and 2-Methylpropanoic acid.
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 Isobutyric Acid
Property Insights of Isobutyric Acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyric Acid. With a topological polar surface area (TPSA) of 37.3 Ų, Isobutyric Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyric Acid has 1 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 Isobutyric Acid?
The CAS number of Isobutyric Acid is 79-31-2.
What is the molecular formula of Isobutyric Acid?
The molecular formula of Isobutyric Acid is C4H8O2.
What is the molecular weight of Isobutyric Acid?
The molecular weight of Isobutyric Acid is 88.05243 g/mol.
What are the applications of Isobutyric Acid?
Isobutyric Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyric Acid (CAS 79-31-2) with...
Where can I buy Isobutyric Acid?
You can request a quote for Isobutyric Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyric Acid?
Yes, CoreyChem provides custom synthesis services for Isobutyric Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.