Methyl isobutyrate
TL;DR: Methyl isobutyrate (CAS 547-63-7) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-methylpropanoate
Also Known As: METHYL ISOBUTYRATE, Methyl 2-methylpropanoate, Methyl isobutanoate, methylisobutyrate, Methyl 2-methylpropionate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.06808 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.06808 Da |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
| Melting Point | -84.7 °C |
| Boiling Point | 91.00 to 93.00 °C. @ 760.00 mm Hg |
| Density | 0.884-0.888 |
| Refractive Index | 1.382-1.386 |
| Solubility | 1 ml in 1 ml 95% alcohol (in ethanol) |
| SMILES | CC(C)C(=O)OC |
| InChIKey | BHIWKHZACMWKOJ-UHFFFAOYSA-N |
Product Description
Applications: Methyl isobutyrate 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Methyl isobutyrate (CAS 547-63-7) is a heterocyclic building block with the molecular formula C5H10O2 and a molecular weight of 102.07 g/mol. Key physical properties include a density of 0.884-0.888 g/cm³, a solubility: 1 ml in 1 ml 95% alcohol (in ethanol). Synonyms include METHYL ISOBUTYRATE and Methyl 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 Methyl isobutyrate
Property Insights of Methyl isobutyrate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl isobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl isobutyrate?
The CAS number of Methyl isobutyrate is 547-63-7.
What is the molecular formula of Methyl isobutyrate?
The molecular formula of Methyl isobutyrate is C5H10O2.
What is the molecular weight of Methyl isobutyrate?
The molecular weight of Methyl isobutyrate is 102.06808 g/mol.
What are the applications of Methyl isobutyrate?
Methyl isobutyrate 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. Available from CoreyChem as both catalog item and...
Where can I buy Methyl isobutyrate?
You can request a quote for Methyl isobutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl isobutyrate?
Yes, CoreyChem provides custom synthesis services for Methyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.