tert-Butyl acrylate
TL;DR: tert-Butyl acrylate (CAS 1663-39-4) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl prop-2-enoate
Also Known As: tert-Butyl acrylate, t-Butyl acrylate, tert-butyl prop-2-enoate, tert-Butyl propenoate, acrylics
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08372 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 Da |
| Heavy Atoms | 9 |
| Complexity | 119.0 |
| Boiling Point | 120 °C |
| Density | 0.879 AT 25 °C |
| Flash Point | 66 °F OC |
| Refractive Index | INDEX OF REFRACTION: 1.4080 AT 25 °C/D |
| SMILES | CC(C)(C)OC(=O)C=C |
| InChIKey | ISXSCDLOGDJUNJ-UHFFFAOYSA-N |
Chemical Property Profile of tert-Butyl acrylate
Property Insights of tert-Butyl acrylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 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
What is the CAS number of tert-Butyl acrylate?
The CAS number of tert-Butyl acrylate is 1663-39-4.
What is the molecular formula of tert-Butyl acrylate?
The molecular formula of tert-Butyl acrylate is C7H12O2.
What is the molecular weight of tert-Butyl acrylate?
The molecular weight of tert-Butyl acrylate is 128.08372 g/mol.
Where can I buy tert-Butyl acrylate?
You can request a quote for tert-Butyl acrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl acrylate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.