异丁醛
TL;DR: 异丁醛 (CAS 78-84-2) is a chemical compound with molecular formula C4H8O and molecular weight 72.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁醛
2-methylpropanal
Also Known As: ISOBUTYRALDEHYDE, 2-Methylpropanal, Isobutanal, Isobutylaldehyde, 2-Methylpropionaldehyde
| Molecular Formula | C4H8O |
|---|---|
| Molecular Weight | 72.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.05752 |
| Heavy Atoms | 5 |
| Complexity | 30.0 |
| Melting Point | -65.0 °C |
| Boiling Point | 63.9 °C at 760 mmHg |
| Density | 0.791 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | -40.0 °C |
| Vapor Pressure | 170 mmHg at 20.0 °C |
| Refractive Index | 1.3730 @ 20 °C |
Chemical Identifiers
| CAS Number | 78-84-2 |
|---|---|
| SMILES | CC(C)C=O |
| InChIKey | AMIMRNSIRUDHCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁醛 (CAS 78-84-2), with molecular formula C4H8O and molecular weight 72.06 g/mol. IUPAC: 2-methylpropanal.
Chemical Property Profile of 异丁醛
Property Insights of 异丁醛
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丁醛. With a topological polar surface area (TPSA) of 17.1 Ų, 异丁醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁醛 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 异丁醛?
The CAS number of 异丁醛 is 78-84-2.
What is the molecular formula of 异丁醛?
The molecular formula of 异丁醛 is C4H8O.
What is the molecular weight of 异丁醛?
The molecular weight of 异丁醛 is 72.06 g/mol.
Where can I buy 异丁醛?
You can request a quote for 异丁醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁醛?
Yes, KEHONG BIO provides custom synthesis services for 异丁醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.