Methyl isovalerate
TL;DR: Methyl isovalerate (CAS 556-24-1) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methylbutanoate
Also Known As: Methyl isovalerate, Methyl 3-methylbutanoate, Methyl isopentanoate, methylisovalerate, Methyl isovalerianate
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| Boiling Point | 114.00 to 115.00 °C. @ 760.00 mm Hg |
| Density | 0.852-0.857 |
| Solubility | soluble in alcohol, most fixed oils; insoluble water |
| Refractive Index | 1.413-1.416 |
Chemical Identifiers
| CAS Number | 556-24-1 |
|---|---|
| SMILES | CC(C)CC(=O)OC |
| InChIKey | OQAGVSWESNCJJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl isovalerate (CAS 556-24-1), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: methyl 3-methylbutanoate.
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
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 116.08 g/mol.
Where can I buy Methyl isovalerate?
You can request a quote for Methyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Methyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.