Isononyl acrylate
TL;DR: Isononyl acrylate (CAS 51952-49-9) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyloctyl prop-2-enoate
Also Known As: Isononyl acrylate, 7-methyloctyl prop-2-enoate, i-nonyl acrylate, 7-methyloctyl acrylate, Acrylic acid 7-methyloctyl ester
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 51952-49-9 |
|---|---|
| SMILES | CC(C)CCCCCCOC(=O)C=C |
| InChIKey | CUXGDKOCSSIRKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isononyl acrylate (CAS 51952-49-9), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 7-methyloctyl prop-2-enoate.
Chemical Property Profile of Isononyl acrylate
Property Insights of Isononyl acrylate
The XLogP value of 4.8 indicates that Isononyl acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isononyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isononyl 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 Isononyl acrylate?
The CAS number of Isononyl acrylate is 51952-49-9.
What is the molecular formula of Isononyl acrylate?
The molecular formula of Isononyl acrylate is C12H22O2.
What is the molecular weight of Isononyl acrylate?
The molecular weight of Isononyl acrylate is 198.16 g/mol.
Where can I buy Isononyl acrylate?
You can request a quote for Isononyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isononyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for Isononyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.