Benzyl formate
TL;DR: Benzyl formate (CAS 104-57-4) is a chemical compound with molecular formula C8H8O2 and molecular weight 136.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl formate
Also Known As: Benzyl formate, Benzyl methanoate, Phenylmethyl formate, Benzyl alcohol, formate, Benzyl formiat
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O2 |
| Molecular Weight | 136.05243 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.05243 Da |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
| Boiling Point | 202.00 to 203.00 °C. @ 760.00 mm Hg |
| Density | 1.082-1.092 |
| Refractive Index | 1.508-1.518 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| SMILES | C1=CC=C(C=C1)COC=O |
| InChIKey | UYWQUFXKFGHYNT-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl formate
Property Insights of Benzyl formate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl formate 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 Benzyl formate?
The CAS number of Benzyl formate is 104-57-4.
What is the molecular formula of Benzyl formate?
The molecular formula of Benzyl formate is C8H8O2.
What is the molecular weight of Benzyl formate?
The molecular weight of Benzyl formate is 136.05243 g/mol.
Where can I buy Benzyl formate?
You can request a quote for Benzyl formate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl formate?
Yes, CoreyChem provides custom synthesis services for Benzyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.