4-Methylanisole
TL;DR: 4-Methylanisole (CAS 104-93-8) is a chemical compound with molecular formula C8H10O and molecular weight 122.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-4-methylbenzene
Also Known As: 4-Methylanisole, 1-METHOXY-4-METHYLBENZENE, p-Methylanisole, 4-Methoxytoluene, p-Methoxytoluene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O |
| Molecular Weight | 122.073166 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.073166 Da |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
| Melting Point | -32 °C |
| Boiling Point | 175.5 °C AT 760 MM HG |
| Density | 0.969 AT 25 °C/25 °C |
| Flash Point | 60 °C |
| Vapor Pressure | 1.14 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.5124 AT 19 °C/D; SADTLER REFERENCE NUMBER: 8044, 1366 (IR, PRISM), 10772 (IR, GRATING); 292 (NMR) |
| Solubility | INSOL IN WATER; SOL IN ETHER, ETHANOL, AND CHLOROFORM. |
| SMILES | CC1=CC=C(C=C1)OC |
| InChIKey | CHLICZRVGGXEOD-UHFFFAOYSA-N |
Product Description
Applications: 4-Methylanisole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Methylanisole (CAS 104-93-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 4-Methylanisole (CAS 104-93-8) has the molecular formula C8H10O and a molecular weight of 122.07 g/mol. Reported properties include a density of 0.969 AT 25 °C/25 °C g/cm³, a solubility: INSOL IN WATER; SOL IN ETHER, ETHANOL, AND CHLOROFORM. It is also known as 4-Methylanisole and 1-METHOXY-4-METHYLBENZENE.
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 4-Methylanisole
Property Insights of 4-Methylanisole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylanisole. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Methylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylanisole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methylanisole?
The CAS number of 4-Methylanisole is 104-93-8.
What is the molecular formula of 4-Methylanisole?
The molecular formula of 4-Methylanisole is C8H10O.
What is the molecular weight of 4-Methylanisole?
The molecular weight of 4-Methylanisole is 122.073166 g/mol.
What are the applications of 4-Methylanisole?
4-Methylanisole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Methylanisole (CAS 104-93-8) with...
Where can I buy 4-Methylanisole?
You can request a quote for 4-Methylanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylanisole?
Yes, CoreyChem provides custom synthesis services for 4-Methylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.