Phenethyl Benzoate
TL;DR: Phenethyl Benzoate (CAS 94-47-3) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylethyl benzoate
Also Known As: Phenethyl benzoate, 2-Phenylethyl benzoate, Phenylethyl benzoate, Phenethylbenzoate, Benzylcarbinyl benzoate
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.09938 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.09938 Da |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
| Boiling Point | 189.00 °C. @ 12.00 mm Hg |
| SMILES | C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2 |
| InChIKey | OSORMYZMWHVFOZ-UHFFFAOYSA-N |
Product Description
Applications: Phenethyl Benzoate is used in pharmaceutical synthesis routes and API production, as well as imaging, photographic, and photosensitive formulations. 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 pharmaceutical intermediate supplied by CoreyChem, Phenethyl Benzoate (CAS 94-47-3) has the molecular formula C15H14O2 and a molecular weight of 226.1 g/mol. Synonyms include Phenethyl benzoate and 2-Phenylethyl benzoate.
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 Phenethyl Benzoate
Property Insights of Phenethyl Benzoate
The XLogP value of 4.0 indicates that Phenethyl Benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenethyl Benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl Benzoate 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 Phenethyl Benzoate?
The CAS number of Phenethyl Benzoate is 94-47-3.
What is the molecular formula of Phenethyl Benzoate?
The molecular formula of Phenethyl Benzoate is C15H14O2.
What is the molecular weight of Phenethyl Benzoate?
The molecular weight of Phenethyl Benzoate is 226.09938 g/mol.
What are the applications of Phenethyl Benzoate?
Phenethyl Benzoate is used in pharmaceutical synthesis routes and API production, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy Phenethyl Benzoate?
You can request a quote for Phenethyl Benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenethyl Benzoate?
Yes, CoreyChem provides custom synthesis services for Phenethyl Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.