Benzyl Benzoate
TL;DR: Benzyl Benzoate (CAS 120-51-4) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
苯甲酸苄酯
benzyl benzoate
Also Known As: BENZYL BENZOATE, Ascabiol, Benylate, Novoscabin, Scobenol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.08372 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.08372 Da |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
| Melting Point | 21 |
| Boiling Point | 323.5 |
| Density | 1.1121 g/cu cm at 25 °C |
| Flash Point | 148 °C |
| Vapor Pressure | 0.000224 [mmHg] |
| Refractive Index | Index of refraction: 1.5680 at 20 °C/D |
| Solubility | 15.4 |
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 |
| InChIKey | SESFRYSPDFLNCH-UHFFFAOYSA-N |
Product Description
Applications: Benzyl Benzoate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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, Benzyl Benzoate (CAS 120-51-4) has the molecular formula C14H12O2 and a molecular weight of 212.08 g/mol. Reported properties include a density of 1.1121 g/cu cm at 25 °C g/cm³, a solubility: 15.4. Synonyms include BENZYL BENZOATE and Ascabiol.
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 Benzoate
Property Insights of Benzyl Benzoate
The XLogP value of 4.0 indicates that Benzyl 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, Benzyl Benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl Benzoate?
The CAS number of Benzyl Benzoate is 120-51-4.
What is the molecular formula of Benzyl Benzoate?
The molecular formula of Benzyl Benzoate is C14H12O2.
What is the molecular weight of Benzyl Benzoate?
The molecular weight of Benzyl Benzoate is 212.08372 g/mol.
What are the applications of Benzyl Benzoate?
Benzyl Benzoate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Benzyl Benzoate?
You can request a quote for Benzyl Benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl Benzoate?
Yes, CoreyChem provides custom synthesis services for Benzyl Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.