2-Methylbutanal
TL;DR: 2-Methylbutanal (CAS 96-17-3) is a chemical compound with molecular formula C5H10O and molecular weight 86.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbutanal
Also Known As: 2-Methylbutyraldehyde, 2-METHYLBUTANAL, 2-Formylbutane, Butanal, 2-methyl-, 2-Ethylpropanal
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O |
| Molecular Weight | 86.073166 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 86.073166 Da |
| Heavy Atoms | 6 |
| Complexity | 41.0 |
| Melting Point | 91.00 °C. @ 760.00 mm Hg |
| Boiling Point | 90.00 to 93.00 °C. @ 760.00 mm Hg |
| Density | 0.799-0.804 |
| Vapor Pressure | 47.4 [mmHg] |
| Refractive Index | 1.388-1.393 |
| SMILES | CCC(C)C=O |
| InChIKey | BYGQBDHUGHBGMD-UHFFFAOYSA-N |
Product Description
Applications: 2-Methylbutanal 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).
2-Methylbutanal (CAS 96-17-3) is a heterocyclic building block with the molecular formula C5H10O and a molecular weight of 86.07 g/mol. Key physical properties include a density of 0.799-0.804 g/cm³. Synonyms include 2-Methylbutyraldehyde and 2-METHYLBUTANAL.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Methylbutanal
Property Insights of 2-Methylbutanal
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbutanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methylbutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutanal has 0 hydrogen bond donor(s) and 1 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-Methylbutanal?
The CAS number of 2-Methylbutanal is 96-17-3.
What is the molecular formula of 2-Methylbutanal?
The molecular formula of 2-Methylbutanal is C5H10O.
What is the molecular weight of 2-Methylbutanal?
The molecular weight of 2-Methylbutanal is 86.073166 g/mol.
What are the applications of 2-Methylbutanal?
2-Methylbutanal 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...
Where can I buy 2-Methylbutanal?
You can request a quote for 2-Methylbutanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylbutanal?
Yes, CoreyChem provides custom synthesis services for 2-Methylbutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.