Methacrolein
TL;DR: Methacrolein (CAS 78-85-3) is a chemical compound with molecular formula C4H6O and molecular weight 70.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-2-enal
Also Known As: METHACROLEIN, Methacrylaldehyde, 2-Methylacrolein, 2-Methyl-2-propenal, Isobutenal
| Molecular Formula | C4H6O |
|---|---|
| Molecular Weight | 70.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 70.04186 |
| Heavy Atoms | 5 |
| Complexity | 54.0 |
| Melting Point | -81 °C |
| Boiling Point | 68.4 °C |
| Density | 0.849 @ 25 °C |
| Solubility | MISCIBLE WITH WATER, ETHANOL, ETHER |
| Flash Point | 1.7 °C (NFPA, 2010) |
| Vapor Pressure | 155.0 [mmHg] |
| Refractive Index | 1.4144 @ 20 °C; MAX ABSORPTION (ALCOHOL): 216 NM (LOG E= 4.04); SADTLER REF NUMBER: 8350 |
Chemical Identifiers
| CAS Number | 78-85-3 |
|---|---|
| SMILES | CC(=C)C=O |
| InChIKey | STNJBCKSHOAVAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methacrolein (CAS 78-85-3), with molecular formula C4H6O and molecular weight 70.04 g/mol. IUPAC: 2-methylprop-2-enal.
Chemical Property Profile of Methacrolein
Property Insights of Methacrolein
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methacrolein. With a topological polar surface area (TPSA) of 17.1 Ų, Methacrolein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methacrolein 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 Methacrolein?
The CAS number of Methacrolein is 78-85-3.
What is the molecular formula of Methacrolein?
The molecular formula of Methacrolein is C4H6O.
What is the molecular weight of Methacrolein?
The molecular weight of Methacrolein is 70.04 g/mol.
Where can I buy Methacrolein?
You can request a quote for Methacrolein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methacrolein?
Yes, KEHONG BIO provides custom synthesis services for Methacrolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.