1-Phenylethyl propionate
TL;DR: 1-Phenylethyl propionate (CAS 120-45-6) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenylethyl propanoate
Also Known As: 1-Phenylethyl propionate, 1-phenylethyl propanoate, Styrallyl propionate, Styralyl propionate, Styrolyl propionate
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.09938 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 Da |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
| Boiling Point | 91.00 to 92.00 °C. @ 5.00 mm Hg |
| Density | 1.002-1.009 |
| Refractive Index | 1.487-1.494 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| SMILES | CCC(=O)OC(C)C1=CC=CC=C1 |
| InChIKey | WCIQNYOXLZQQMU-UHFFFAOYSA-N |
Product Description
Applications: 1-Phenylethyl propionate is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Phenylethyl propionate (CAS 120-45-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Phenylethyl propionate is a pharmaceutical intermediate identified by CAS number 120-45-6 and the molecular formula C11H14O2 and a molecular weight of 178.1 g/mol. Physically, the compound has a density of 1.002-1.009 g/cm³, a solubility: insoluble in water; soluble in organic solvents, oils. It is also known as 1-Phenylethyl propionate and 1-phenylethyl propanoate.
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 1-Phenylethyl propionate
Property Insights of 1-Phenylethyl propionate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylethyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Phenylethyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethyl propionate 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 1-Phenylethyl propionate?
The CAS number of 1-Phenylethyl propionate is 120-45-6.
What is the molecular formula of 1-Phenylethyl propionate?
The molecular formula of 1-Phenylethyl propionate is C11H14O2.
What is the molecular weight of 1-Phenylethyl propionate?
The molecular weight of 1-Phenylethyl propionate is 178.09938 g/mol.
What are the applications of 1-Phenylethyl propionate?
1-Phenylethyl propionate is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Phenylethyl propionate (CAS...
Where can I buy 1-Phenylethyl propionate?
You can request a quote for 1-Phenylethyl propionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenylethyl propionate?
Yes, CoreyChem provides custom synthesis services for 1-Phenylethyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.