Ethoxyquin
TL;DR: Ethoxyquin (CAS 91-53-2) is a chemical compound with molecular formula C14H19NO and molecular weight 217.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-ethoxy-2,2,4-trimethyl-1H-quinoline
Also Known As: ethoxyquin, Santoquin, Ethoxyquine, Santoquine, Niflex
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H19NO |
| Molecular Weight | 217.14667 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.14667 Da |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
| Melting Point | less than 32 °F (NTP, 1992) |
| Boiling Point | 253 to 257 °F at 2 mmHg (NTP, 1992) |
| Density | 1.029 to 1.031 at 77 °F (NTP, 1992) |
| Flash Point | 225 °F (NTP, 1992) |
| Vapor Pressure | 1.82e-05 mmHg at 32 °F ; 0.000256 mmHg at 77 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.569-1.672 AT 25 °C/D |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C |
| InChIKey | DECIPOUIJURFOJ-UHFFFAOYSA-N |
Product Description
Applications: Ethoxyquin is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethoxyquin (CAS 91-53-2) 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, Ethoxyquin (CAS 91-53-2) has the molecular formula C14H19NO and a molecular weight of 217.15 g/mol. Reported properties include a density of 1.029 to 1.031 at 77 °F (NTP, 1992) g/cm³, a solubility: less than 1 mg/mL at 68 °F (NTP, 1992). It is also known as ethoxyquin and Santoquin.
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 Ethoxyquin
Property Insights of Ethoxyquin
The XLogP value of 3.1 indicates that Ethoxyquin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, Ethoxyquin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethoxyquin has 1 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 Ethoxyquin?
The CAS number of Ethoxyquin is 91-53-2.
What is the molecular formula of Ethoxyquin?
The molecular formula of Ethoxyquin is C14H19NO.
What is the molecular weight of Ethoxyquin?
The molecular weight of Ethoxyquin is 217.14667 g/mol.
What are the applications of Ethoxyquin?
Ethoxyquin is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethoxyquin (CAS 91-53-2) with custom synthesis available from...
Where can I buy Ethoxyquin?
You can request a quote for Ethoxyquin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethoxyquin?
Yes, CoreyChem provides custom synthesis services for Ethoxyquin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.