Methacrolein diacetate
TL;DR: Methacrolein diacetate (CAS 10476-95-6) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxy-2-methylprop-2-enyl) acetate
Also Known As: METHACROLEIN DIACETATE, Methacrolein diacetyl acetal, 2-Methylallylidene diacetate, Methallylidene diacetate, Methyl allylidene diacetate
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
| Boiling Point | 191.0 °C at 760 mmHg |
| Density | 1.051 @ 20 °C/20 °C |
| Flash Point | 215 °C (open cup) |
| Vapor Pressure | 0.35 [mm Hg] @25 °C |
Chemical Identifiers
| CAS Number | 10476-95-6 |
|---|---|
| SMILES | CC(=C)C(OC(=O)C)OC(=O)C |
| InChIKey | QFXJBPCTHSTOPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methacrolein diacetate (CAS 10476-95-6), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: (1-acetyloxy-2-methylprop-2-enyl) acetate.
Chemical Property Profile of Methacrolein diacetate
Property Insights of Methacrolein diacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methacrolein diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Methacrolein diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methacrolein diacetate has 0 hydrogen bond donor(s) and 4 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 diacetate?
The CAS number of Methacrolein diacetate is 10476-95-6.
What is the molecular formula of Methacrolein diacetate?
The molecular formula of Methacrolein diacetate is C8H12O4.
What is the molecular weight of Methacrolein diacetate?
The molecular weight of Methacrolein diacetate is 172.07 g/mol.
Where can I buy Methacrolein diacetate?
You can request a quote for Methacrolein diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methacrolein diacetate?
Yes, KEHONG BIO provides custom synthesis services for Methacrolein diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.