Allyl acrylate
TL;DR: Allyl acrylate (CAS 999-55-3) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl prop-2-enoate
Also Known As: Allyl acrylate, allylacrylate, Acrylic acid, allyl ester, Acrylic Acid Allyl Ester, Acrylic acid allyl
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
| Boiling Point | 252 to 123.9 °C at 760 mmHg |
| Density | 0.9441 - Less dense than water; will float |
| Solubility | 1 to 5 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | less than 20.6 °C |
Chemical Identifiers
| CAS Number | 999-55-3 |
|---|---|
| SMILES | C=CCOC(=O)C=C |
| InChIKey | QTECDUFMBMSHKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl acrylate (CAS 999-55-3), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: prop-2-enyl prop-2-enoate.
Chemical Property Profile of Allyl acrylate
Property Insights of Allyl acrylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl acrylate has 0 hydrogen bond donor(s) and 2 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 Allyl acrylate?
The CAS number of Allyl acrylate is 999-55-3.
What is the molecular formula of Allyl acrylate?
The molecular formula of Allyl acrylate is C6H8O2.
What is the molecular weight of Allyl acrylate?
The molecular weight of Allyl acrylate is 112.05 g/mol.
Where can I buy Allyl acrylate?
You can request a quote for Allyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for Allyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.