2,5-二甲基苯酚
TL;DR: 2,5-二甲基苯酚 (CAS 95-87-4) is a chemical compound with molecular formula C8H10O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-二甲基苯酚
2,5-dimethylphenol
Also Known As: 2,5-DIMETHYLPHENOL, 2,5-Xylenol, p-Xylenol, 3,6-Dimethylphenol, 6-Methyl-m-cresol
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| Melting Point | 160 to 72.8 °C |
| Boiling Point | 212.2 °C at 760 mmHg |
| Density | 0.971 - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 51.8 °C ; 5 mmHg at 78.0 °C; 10 mmHg at 91.3 °C |
| Refractive Index | 1.5092 @ 80 °C |
Chemical Identifiers
| CAS Number | 95-87-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)O |
| InChIKey | NKTOLZVEWDHZMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-二甲基苯酚 (CAS 95-87-4), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: 2,5-dimethylphenol.
Chemical Property Profile of 2,5-二甲基苯酚
Property Insights of 2,5-二甲基苯酚
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-二甲基苯酚. With a topological polar surface area (TPSA) of 20.2 Ų, 2,5-二甲基苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-二甲基苯酚 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
Frequently Asked Questions
What is the CAS number of 2,5-二甲基苯酚?
The CAS number of 2,5-二甲基苯酚 is 95-87-4.
What is the molecular formula of 2,5-二甲基苯酚?
The molecular formula of 2,5-二甲基苯酚 is C8H10O.
What is the molecular weight of 2,5-二甲基苯酚?
The molecular weight of 2,5-二甲基苯酚 is 122.07 g/mol.
Where can I buy 2,5-二甲基苯酚?
You can request a quote for 2,5-二甲基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-二甲基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 2,5-二甲基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.