2-Phenylethyl formate
TL;DR: 2-Phenylethyl formate (CAS 104-62-1) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylethyl formate
Also Known As: Phenethyl formate, 2-Phenylethyl formate, Phenylethyl formate, Benzylcarbinyl formate, 2-Phenethyl formate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.06808 Da |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
| Boiling Point | 226.00 °C. @ 760.00 mm Hg |
| Density | 1.056-1.065 |
| Refractive Index | 1.503-1.513 |
| Solubility | slightly |
| SMILES | C1=CC=C(C=C1)CCOC=O |
| InChIKey | IKDIJXDZEYHZSD-UHFFFAOYSA-N |
Product Description
Applications: 2-Phenylethyl 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).
A heterocyclic building block supplied by CoreyChem, 2-Phenylethyl formate (CAS 104-62-1) has the molecular formula C9H10O2 and a molecular weight of 150.07 g/mol. Reported properties include a density of 1.056-1.065 g/cm³, a solubility: slightly. Synonyms include Phenethyl formate and 2-Phenylethyl formate.
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 2-Phenylethyl formate
Property Insights of 2-Phenylethyl formate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylethyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Phenylethyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl 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 2-Phenylethyl formate?
The CAS number of 2-Phenylethyl formate is 104-62-1.
What is the molecular formula of 2-Phenylethyl formate?
The molecular formula of 2-Phenylethyl formate is C9H10O2.
What is the molecular weight of 2-Phenylethyl formate?
The molecular weight of 2-Phenylethyl formate is 150.06808 g/mol.
What are the applications of 2-Phenylethyl formate?
2-Phenylethyl 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 2-Phenylethyl formate?
You can request a quote for 2-Phenylethyl formate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenylethyl formate?
Yes, CoreyChem provides custom synthesis services for 2-Phenylethyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.