Phenethyl butyrate
TL;DR: Phenethyl butyrate (CAS 103-52-6) 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.
2-phenylethyl butanoate
Also Known As: Phenethyl butyrate, 2-Phenylethyl butanoate, Phenylethyl butyrate, Phenethyl butanoate, 2-Phenethyl butanoate
Application Areas
Top 5 of 9 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 | 238.00 °C. @ 760.00 mm Hg |
| Density | 0.991-0.994 |
| Refractive Index | 1.487-1.493 |
| Solubility | very slightly |
| SMILES | CCCC(=O)OCCC1=CC=CC=C1 |
| InChIKey | WFNDDSQUKATKNX-UHFFFAOYSA-N |
Product Description
Applications: Phenethyl butyrate 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 Phenethyl butyrate (CAS 103-52-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Phenethyl butyrate (CAS 103-52-6) has the molecular formula C12H16O2 and a molecular weight of 192.12 g/mol. Reported properties include a density of 0.991-0.994 g/cm³, a solubility: very slightly. It is also known as Phenethyl butyrate and 2-Phenylethyl butanoate.
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 butyrate
Property Insights of Phenethyl butyrate
The XLogP value of 3.1 indicates that Phenethyl butyrate 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 butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl butyrate 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 butyrate?
The CAS number of Phenethyl butyrate is 103-52-6.
What is the molecular formula of Phenethyl butyrate?
The molecular formula of Phenethyl butyrate is C12H16O2.
What is the molecular weight of Phenethyl butyrate?
The molecular weight of Phenethyl butyrate is 192.11504 g/mol.
What are the applications of Phenethyl butyrate?
Phenethyl butyrate 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 Phenethyl butyrate (CAS 103-52-6) with...
Where can I buy Phenethyl butyrate?
You can request a quote for Phenethyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenethyl butyrate?
Yes, CoreyChem provides custom synthesis services for Phenethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.