Isobutyl acrylate
TL;DR: Isobutyl acrylate (CAS 106-63-8) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl prop-2-enoate
Also Known As: ISOBUTYL ACRYLATE, Isobutyl propenoate, Isobutyl 2-propenoate, isobutylacrylate, 2-Methylpropyl acrylate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| Melting Point | -61.1 °C |
| Boiling Point | 132.2 °C at 760 mmHg |
| Density | 0.889 at 20.0 °C - Less dense than water; will float |
| Solubility | Slightly soluble (NTP, 1992) |
| Flash Point | 30.0 °C |
| Vapor Pressure | 20.68 mmHg |
| Refractive Index | 1.4150 at 20 °C |
Chemical Identifiers
| CAS Number | 106-63-8 |
|---|---|
| SMILES | CC(C)COC(=O)C=C |
| InChIKey | CFVWNXQPGQOHRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl acrylate (CAS 106-63-8), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 2-methylpropyl prop-2-enoate.
Chemical Property Profile of Isobutyl acrylate
Property Insights of Isobutyl acrylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl acrylate?
The CAS number of Isobutyl acrylate is 106-63-8.
What is the molecular formula of Isobutyl acrylate?
The molecular formula of Isobutyl acrylate is C7H12O2.
What is the molecular weight of Isobutyl acrylate?
The molecular weight of Isobutyl acrylate is 128.08 g/mol.
Where can I buy Isobutyl acrylate?
You can request a quote for Isobutyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.