Phenoxyethyl isobutyrate
TL;DR: Phenoxyethyl isobutyrate (CAS 103-60-6) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 2-methylpropanoate
Also Known As: 2-Phenoxyethyl isobutyrate, Phenoxyethyl isobutyrate, 2-Phenoxyethyl 2-methylpropanoate, Floranol, phenoxyethylisobutyrat
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
| Boiling Point | 125.00 to 127.00 °C. @ 4.00 mm Hg |
| Density | 1.044-1.048 |
| Solubility | 210 mg/L @ 20 °C (exp) |
| Refractive Index | 1.491-1.496 |
Chemical Identifiers
| CAS Number | 103-60-6 |
|---|---|
| SMILES | CC(C)C(=O)OCCOC1=CC=CC=C1 |
| InChIKey | MJTPMXWJHPOWGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenoxyethyl isobutyrate (CAS 103-60-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2-phenoxyethyl 2-methylpropanoate.
Chemical Property Profile of Phenoxyethyl isobutyrate
Property Insights of Phenoxyethyl isobutyrate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenoxyethyl isobutyrate. With a topological polar surface area (TPSA) of 35.5 Ų, Phenoxyethyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenoxyethyl isobutyrate has 0 hydrogen bond donor(s) and 3 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 Phenoxyethyl isobutyrate?
The CAS number of Phenoxyethyl isobutyrate is 103-60-6.
What is the molecular formula of Phenoxyethyl isobutyrate?
The molecular formula of Phenoxyethyl isobutyrate is C12H16O3.
What is the molecular weight of Phenoxyethyl isobutyrate?
The molecular weight of Phenoxyethyl isobutyrate is 208.11 g/mol.
Where can I buy Phenoxyethyl isobutyrate?
You can request a quote for Phenoxyethyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenoxyethyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Phenoxyethyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.