Phenethyl isobutyrate
TL;DR: Phenethyl isobutyrate (CAS 103-48-0) 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 2-methylpropanoate
Also Known As: Phenethyl isobutyrate, 2-Phenylethyl isobutyrate, 2-Phenylethyl 2-methylpropanoate, Phenylethyl isobutyrate, Benzylcarbinol isobutyrate
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 | 3.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 Da |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
| Boiling Point | 230.00 °C. @ 760.00 mm Hg |
| Density | 0.987-0.990 |
| Refractive Index | 1.485-1.490 |
| Solubility | Insoluble in water; soluble in oils |
| SMILES | CC(C)C(=O)OCCC1=CC=CC=C1 |
| InChIKey | JDQVBGQWADMTAM-UHFFFAOYSA-N |
Product Description
Applications: Phenethyl isobutyrate is used in pharmaceutical synthesis routes and API production, 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).
Phenethyl isobutyrate is a pharmaceutical intermediate identified by CAS number 103-48-0 and the molecular formula C12H16O2 and a molecular weight of 192.12 g/mol. Physically, the compound has a density of 0.987-0.990 g/cm³, a solubility: Insoluble in water; soluble in oils. Synonyms include Phenethyl isobutyrate and 2-Phenylethyl isobutyrate.
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 isobutyrate
Property Insights of Phenethyl isobutyrate
The XLogP value of 3.3 indicates that Phenethyl isobutyrate 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 isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl isobutyrate 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 isobutyrate?
The CAS number of Phenethyl isobutyrate is 103-48-0.
What is the molecular formula of Phenethyl isobutyrate?
The molecular formula of Phenethyl isobutyrate is C12H16O2.
What is the molecular weight of Phenethyl isobutyrate?
The molecular weight of Phenethyl isobutyrate is 192.11504 g/mol.
What are the applications of Phenethyl isobutyrate?
Phenethyl isobutyrate is used in pharmaceutical synthesis routes and API production, 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...
Where can I buy Phenethyl isobutyrate?
You can request a quote for Phenethyl isobutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenethyl isobutyrate?
Yes, CoreyChem provides custom synthesis services for Phenethyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.