Butyl perbenzoate
TL;DR: Butyl perbenzoate (CAS 13269-61-9) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl benzenecarboperoxoate
Also Known As: Butyl perbenzoate, butylperbenzoate, butylperbenzoat, butyl benzenecarboperoxoate, butyl peroxybenzoate
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
| SMILES | CCCCOOC(=O)C1=CC=CC=C1 |
| InChIKey | UPIWXMRIPODGLE-UHFFFAOYSA-N |
Chemical Property Profile of Butyl perbenzoate
Property Insights of Butyl perbenzoate
The XLogP value of 3.1 indicates that Butyl perbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Butyl perbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl perbenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butyl perbenzoate?
The CAS number of Butyl perbenzoate is 13269-61-9.
What is the molecular formula of Butyl perbenzoate?
The molecular formula of Butyl perbenzoate is C11H14O3.
What is the molecular weight of Butyl perbenzoate?
The molecular weight of Butyl perbenzoate is 194.0943 g/mol.
Where can I buy Butyl perbenzoate?
You can request a quote for Butyl perbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl perbenzoate?
Yes, CoreyChem provides custom synthesis services for Butyl perbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.