Phenethyl isobutyrate
TL;DR: Phenethyl isobutyrate (CAS 103-48-0) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2-methylpropanoate
Also Known As: Phenethyl isobutyrate, 2-Phenylethyl isobutyrate, 2-Phenylethyl 2-methylpropanoate, Phenylethyl isobutyrate, Benzylcarbinol isobutyrate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
| Boiling Point | 230.00 °C. @ 760.00 mm Hg |
| Density | 0.987-0.990 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.485-1.490 |
Chemical Identifiers
| CAS Number | 103-48-0 |
|---|---|
| SMILES | CC(C)C(=O)OCCC1=CC=CC=C1 |
| InChIKey | JDQVBGQWADMTAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl isobutyrate (CAS 103-48-0), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-phenylethyl 2-methylpropanoate.
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
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 192.12 g/mol.
Where can I buy Phenethyl isobutyrate?
You can request a quote for Phenethyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.