3-Methyl-2-butenal
TL;DR: 3-Methyl-2-butenal (CAS 107-86-8) is a chemical compound with molecular formula C5H8O and molecular weight 84.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enal
Also Known As: 3-Methyl-2-butenal, 3-Methylbut-2-enal, Senecialdehyde, Prenal, 3-Methylcrotonaldehyde
| Molecular Formula | C5H8O |
|---|---|
| Molecular Weight | 84.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.05752 |
| Heavy Atoms | 6 |
| Complexity | 68.0 |
| Melting Point | -20 °C |
| Boiling Point | 134 °C |
| Density | 0.9 g/cm³ |
| Solubility | slightly |
| Flash Point | 37 °C |
| Vapor Pressure | 5.6 [mmHg] |
| Refractive Index | 1.458-1.464 |
Chemical Identifiers
| CAS Number | 107-86-8 |
|---|---|
| SMILES | CC(=CC=O)C |
| InChIKey | SEPQTYODOKLVSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-butenal (CAS 107-86-8), with molecular formula C5H8O and molecular weight 84.06 g/mol. IUPAC: 3-methylbut-2-enal.
Chemical Property Profile of 3-Methyl-2-butenal
Property Insights of 3-Methyl-2-butenal
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-butenal. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methyl-2-butenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-butenal 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 3-Methyl-2-butenal?
The CAS number of 3-Methyl-2-butenal is 107-86-8.
What is the molecular formula of 3-Methyl-2-butenal?
The molecular formula of 3-Methyl-2-butenal is C5H8O.
What is the molecular weight of 3-Methyl-2-butenal?
The molecular weight of 3-Methyl-2-butenal is 84.06 g/mol.
Where can I buy 3-Methyl-2-butenal?
You can request a quote for 3-Methyl-2-butenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-butenal?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.