Ethyl 4-phenylbutanoate
TL;DR: Ethyl 4-phenylbutanoate (CAS 10031-93-3) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-phenylbutanoate
Also Known As: Ethyl 4-phenylbutanoate, Ethyl 4-phenylbutyrate, Ethyl 4-phenyl butyrate, Ethyl benzenebutanoate, Benzenebutanoic acid, ethyl ester
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.11504 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.11504 Da |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
| Boiling Point | 275.00 to 276.00 °C. @ 760.00 mm Hg |
| Density | 0.986-0.992 |
| Refractive Index | 1.489-1.495 |
| Solubility | Soluble in oils; Insoluble in water |
| SMILES | CCOC(=O)CCCC1=CC=CC=C1 |
| InChIKey | GGFNXKFGVQQNRV-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-phenylbutanoate
Property Insights of Ethyl 4-phenylbutanoate
The XLogP value of 3.1 indicates that Ethyl 4-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-phenylbutanoate 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 Ethyl 4-phenylbutanoate?
The CAS number of Ethyl 4-phenylbutanoate is 10031-93-3.
What is the molecular formula of Ethyl 4-phenylbutanoate?
The molecular formula of Ethyl 4-phenylbutanoate is C12H16O2.
What is the molecular weight of Ethyl 4-phenylbutanoate?
The molecular weight of Ethyl 4-phenylbutanoate is 192.11504 g/mol.
Where can I buy Ethyl 4-phenylbutanoate?
You can request a quote for Ethyl 4-phenylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-phenylbutanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.