2-甲基丁醛
TL;DR: 2-甲基丁醛 (CAS 96-17-3) is a chemical compound with molecular formula C5H10O and molecular weight 86.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基丁醛
2-methylbutanal
Also Known As: 2-Methylbutyraldehyde, 2-METHYLBUTANAL, 2-Formylbutane, Butanal, 2-methyl-, 2-Ethylpropanal
| Molecular Formula | C5H10O |
|---|---|
| Molecular Weight | 86.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 86.073166 |
| 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 |
Chemical Identifiers
| CAS Number | 96-17-3 |
|---|---|
| SMILES | CCC(C)C=O |
| InChIKey | BYGQBDHUGHBGMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基丁醛 (CAS 96-17-3), with molecular formula C5H10O and molecular weight 86.07 g/mol. IUPAC: 2-methylbutanal.
Chemical Property Profile of 2-甲基丁醛
Property Insights of 2-甲基丁醛
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基丁醛. With a topological polar surface area (TPSA) of 17.1 Ų, 2-甲基丁醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丁醛 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
Frequently Asked Questions
What is the CAS number of 2-甲基丁醛?
The CAS number of 2-甲基丁醛 is 96-17-3.
What is the molecular formula of 2-甲基丁醛?
The molecular formula of 2-甲基丁醛 is C5H10O.
What is the molecular weight of 2-甲基丁醛?
The molecular weight of 2-甲基丁醛 is 86.07 g/mol.
Where can I buy 2-甲基丁醛?
You can request a quote for 2-甲基丁醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丁醛?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丁醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.