Phenyl benzoate
TL;DR: Phenyl benzoate (CAS 93-99-2) is a chemical compound with molecular formula C13H10O2 and molecular weight 198.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
苯甲酸苯酯
phenyl benzoate
Also Known As: PHENYL BENZOATE, Benzoic acid phenyl ester, Diphenylcarboxylate, Benzoic acid, phenyl ester, Phenol, benzoate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10O2 |
| Molecular Weight | 198.06808 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.06808 Da |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2 |
| InChIKey | FCJSHPDYVMKCHI-UHFFFAOYSA-N |
Product Description
Applications: Phenyl benzoate is used in polymer chemistry and functional materials synthesis, as well as surfactant and detergent 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).
Phenyl benzoate (CAS 93-99-2) is a polymer intermediate with the molecular formula C13H10O2 and a molecular weight of 198.07 g/mol. Synonyms include PHENYL BENZOATE and Benzoic acid phenyl ester.
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 Phenyl benzoate
Property Insights of Phenyl benzoate
The XLogP value of 3.6 indicates that Phenyl 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, Phenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 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 Phenyl benzoate?
The CAS number of Phenyl benzoate is 93-99-2.
What is the molecular formula of Phenyl benzoate?
The molecular formula of Phenyl benzoate is C13H10O2.
What is the molecular weight of Phenyl benzoate?
The molecular weight of Phenyl benzoate is 198.06808 g/mol.
What are the applications of Phenyl benzoate?
Phenyl benzoate is used in polymer chemistry and functional materials synthesis, as well as surfactant and detergent 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),...
Where can I buy Phenyl benzoate?
You can request a quote for Phenyl benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenyl benzoate?
Yes, CoreyChem provides custom synthesis services for Phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.