Methyl isovalerate
TL;DR: Methyl isovalerate (CAS 556-24-1) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-methylbutanoate
Also Known As: Methyl isovalerate, Methyl 3-methylbutanoate, Methyl isopentanoate, methylisovalerate, Methyl isovalerianate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08373 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 Da |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| Boiling Point | 114.00 to 115.00 °C. @ 760.00 mm Hg |
| Density | 0.852-0.857 |
| Refractive Index | 1.413-1.416 |
| Solubility | soluble in alcohol, most fixed oils; insoluble water |
| SMILES | CC(C)CC(=O)OC |
| InChIKey | OQAGVSWESNCJJT-UHFFFAOYSA-N |
Product Description
Applications: Methyl isovalerate 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. CoreyChem supplies Methyl isovalerate (CAS 556-24-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Methyl isovalerate is a heterocyclic building block identified by CAS number 556-24-1 and the molecular formula C6H12O2 and a molecular weight of 116.08 g/mol. Physically, the compound has a density of 0.852-0.857 g/cm³, a solubility: soluble in alcohol, most fixed oils; insoluble water. It is also known as Methyl isovalerate and Methyl 3-methylbutanoate.
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 isovalerate
Property Insights of Methyl isovalerate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl isovalerate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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
What is the CAS number of Methyl isovalerate?
The CAS number of Methyl isovalerate is 556-24-1.
What is the molecular formula of Methyl isovalerate?
The molecular formula of Methyl isovalerate is C6H12O2.
What is the molecular weight of Methyl isovalerate?
The molecular weight of Methyl isovalerate is 116.08373 g/mol.
What are the applications of Methyl isovalerate?
Methyl isovalerate 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. CoreyChem supplies Methyl isovalerate (CAS 556-24-1)...
Where can I buy Methyl isovalerate?
You can request a quote for Methyl isovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl isovalerate?
Yes, CoreyChem provides custom synthesis services for Methyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.