3,4-Dimethylphenol
TL;DR: 3,4-Dimethylphenol (CAS 95-65-8) 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.
3,4-dimethylphenol
Also Known As: 3,4-DIMETHYLPHENOL, 3,4-Xylenol, 4,5-Dimethylphenol, 1,3,4-Xylenol, Phenol, 3,4-dimethyl-
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 | 2.2 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.073166 Da |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| Melting Point | 144.5 °F (NTP, 1992) |
| Boiling Point | 437 °F at 760 mmHg (NTP, 1992) |
| Density | 0.983 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Pressure | 1 mmHg at 151.2 °F ; 5 mmHg at 200.8 °F; 10 mmHg at 225.9 °F (NTP, 1992) |
| Refractive Index | Index of Refraction: 1.5268 @ 60 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CC1=C(C=C(C=C1)O)C |
| InChIKey | YCOXTKKNXUZSKD-UHFFFAOYSA-N |
Product Description
Applications: 3,4-Dimethylphenol is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,4-Dimethylphenol (CAS 95-65-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, 3,4-Dimethylphenol (CAS 95-65-8) has the molecular formula C8H10O and a molecular weight of 122.07 g/mol. Reported properties include a density of 0.983 at 68 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 68 °F (NTP, 1992). It is also known as 3,4-DIMETHYLPHENOL and 3,4-Xylenol.
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 3,4-Dimethylphenol
Property Insights of 3,4-Dimethylphenol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4-Dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylphenol 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 3,4-Dimethylphenol?
The CAS number of 3,4-Dimethylphenol is 95-65-8.
What is the molecular formula of 3,4-Dimethylphenol?
The molecular formula of 3,4-Dimethylphenol is C8H10O.
What is the molecular weight of 3,4-Dimethylphenol?
The molecular weight of 3,4-Dimethylphenol is 122.073166 g/mol.
What are the applications of 3,4-Dimethylphenol?
3,4-Dimethylphenol is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,4-Dimethylphenol (CAS 95-65-8)...
Where can I buy 3,4-Dimethylphenol?
You can request a quote for 3,4-Dimethylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dimethylphenol?
Yes, CoreyChem provides custom synthesis services for 3,4-Dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.