Pseudocumenol
TL;DR: Pseudocumenol (CAS 496-78-6) is a chemical compound with molecular formula C9H12O and molecular weight 136.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,5-trimethylphenol
Also Known As: 2,4,5-TRIMETHYLPHENOL, Pseudocumenol, 5-Hydroxypseudocumene, Phenol, 2,4,5-trimethyl-, 2,5-Trimethylphenol
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12O |
| Molecular Weight | 136.08882 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.08882 Da |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
| SMILES | CC1=CC(=C(C=C1C)O)C |
| InChIKey | VXSCPERJHPWROZ-UHFFFAOYSA-N |
Product Description
Applications: Pseudocumenol is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. 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).
Pseudocumenol (CAS 496-78-6) is a polymer intermediate with the molecular formula C9H12O and a molecular weight of 136.09 g/mol. Synonyms include 2,4,5-TRIMETHYLPHENOL and Pseudocumenol.
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 Pseudocumenol
Property Insights of Pseudocumenol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudocumenol. With a topological polar surface area (TPSA) of 20.2 Ų, Pseudocumenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudocumenol has 1 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 Pseudocumenol?
The CAS number of Pseudocumenol is 496-78-6.
What is the molecular formula of Pseudocumenol?
The molecular formula of Pseudocumenol is C9H12O.
What is the molecular weight of Pseudocumenol?
The molecular weight of Pseudocumenol is 136.08882 g/mol.
What are the applications of Pseudocumenol?
Pseudocumenol is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Pseudocumenol?
You can request a quote for Pseudocumenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pseudocumenol?
Yes, CoreyChem provides custom synthesis services for Pseudocumenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.