2-Methylbutanoic Acid
TL;DR: 2-Methylbutanoic Acid (CAS 116-53-0) 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.
2-methylbutanoic acid
Also Known As: 2-Methylbutanoic acid, 2-METHYLBUTYRIC ACID, Methylbutyric acid, DL-2-Methylbutyric acid, Butanoic acid, 2-methyl-
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) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.06808 Da |
| Heavy Atoms | 7 |
| Complexity | 68.0 |
| Boiling Point | 176.00 to 177.00 °C. @ 760.00 mm Hg |
| Density | 0.932-0.936 |
| Refractive Index | 1.404-1.408 |
| Solubility | 45 mg/mL at 20 °C |
| SMILES | CCC(C)C(=O)O |
| InChIKey | WLAMNBDJUVNPJU-UHFFFAOYSA-N |
Product Description
Applications: 2-Methylbutanoic Acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. 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).
A heterocyclic building block supplied by CoreyChem, 2-Methylbutanoic Acid (CAS 116-53-0) has the molecular formula C5H10O2 and a molecular weight of 102.07 g/mol. Reported properties include a density of 0.932-0.936 g/cm³, a solubility: 45 mg/mL at 20 °C. Synonyms include 2-Methylbutanoic acid and 2-METHYLBUTYRIC 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 2-Methylbutanoic Acid
Property Insights of 2-Methylbutanoic Acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbutanoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Methylbutanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutanoic 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 2-Methylbutanoic Acid?
The CAS number of 2-Methylbutanoic Acid is 116-53-0.
What is the molecular formula of 2-Methylbutanoic Acid?
The molecular formula of 2-Methylbutanoic Acid is C5H10O2.
What is the molecular weight of 2-Methylbutanoic Acid?
The molecular weight of 2-Methylbutanoic Acid is 102.06808 g/mol.
What are the applications of 2-Methylbutanoic Acid?
2-Methylbutanoic Acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy 2-Methylbutanoic Acid?
You can request a quote for 2-Methylbutanoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylbutanoic Acid?
Yes, CoreyChem provides custom synthesis services for 2-Methylbutanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.