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 |
Product Description
Applications: Benzyl formate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Benzyl formate (CAS 104-57-4) is a heterocyclic building block with the molecular formula C8H8O2 and a molecular weight of 136.05 g/mol. Key physical properties include a density of 1.082-1.092 g/cm³, a solubility: insoluble in water; soluble in organic solvents, oils. Synonyms include Benzyl formate and Benzyl methanoate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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.
What are the applications of Benzyl formate?
Benzyl formate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
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.