Isooctyl acrylate
TL;DR: Isooctyl acrylate (CAS 197166-39-5) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl prop-2-enoate
Also Known As: ISOOCTYL ACRYLATE, 6-Methylheptyl acrylate, Iso-octyl acrylate, 6-methylheptyl prop-2-enoate, isooctylacrylate
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
| Boiling Point | 196.8 °C |
| Density | 0.9 g/cm³ |
| Solubility | Solubility in water, g/100ml at 23 °C: 0.001 (very poor) |
| Flash Point | 91 °C |
| Vapor Pressure | 0.15 [mmHg] |
Chemical Identifiers
| CAS Number | 197166-39-5 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)C=C |
| InChIKey | DXPPIEDUBFUSEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isooctyl acrylate (CAS 197166-39-5), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 6-methylheptyl prop-2-enoate.
Chemical Property Profile of Isooctyl acrylate
Property Insights of Isooctyl acrylate
The XLogP value of 4.2 indicates that Isooctyl 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, Isooctyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isooctyl 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 Isooctyl acrylate?
The CAS number of Isooctyl acrylate is 197166-39-5.
What is the molecular formula of Isooctyl acrylate?
The molecular formula of Isooctyl acrylate is C11H20O2.
What is the molecular weight of Isooctyl acrylate?
The molecular weight of Isooctyl acrylate is 184.15 g/mol.
Where can I buy Isooctyl acrylate?
You can request a quote for Isooctyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isooctyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for Isooctyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.