4-Methylcatechol
TL;DR: 4-Methylcatechol (CAS 452-86-8) is a chemical compound with molecular formula C7H8O2 and molecular weight 124.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylbenzene-1,2-diol
Also Known As: 4-Methylcatechol, 4-methylbenzene-1,2-diol, Homocatechol, 3,4-Dihydroxytoluene, Homopyrocatechol
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.05243 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.05243 Da |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
| Melting Point | 65 |
| Boiling Point | 251 |
| Vapor Pressure | 0.0028 [mmHg] |
| SMILES | CC1=CC(=C(C=C1)O)O |
| InChIKey | ZBCATMYQYDCTIZ-UHFFFAOYSA-N |
Product Description
Applications: 4-Methylcatechol 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Methylcatechol (CAS 452-86-8) is a pharmaceutical intermediate with the molecular formula C7H8O2 and a molecular weight of 124.05 g/mol. Synonyms include 4-Methylcatechol and 4-methylbenzene-1,2-diol.
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-Methylcatechol
Property Insights of 4-Methylcatechol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcatechol. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Methylcatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylcatechol has 2 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 4-Methylcatechol?
The CAS number of 4-Methylcatechol is 452-86-8.
What is the molecular formula of 4-Methylcatechol?
The molecular formula of 4-Methylcatechol is C7H8O2.
What is the molecular weight of 4-Methylcatechol?
The molecular weight of 4-Methylcatechol is 124.05243 g/mol.
What are the applications of 4-Methylcatechol?
4-Methylcatechol 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg...
Where can I buy 4-Methylcatechol?
You can request a quote for 4-Methylcatechol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylcatechol?
Yes, CoreyChem provides custom synthesis services for 4-Methylcatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.