3,4-二甲基苯酚
TL;DR: 3,4-二甲基苯酚 (CAS 95-65-8) 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.
3,4-二甲基苯酚
3,4-dimethylphenol
Also Known As: 3,4-DIMETHYLPHENOL, 3,4-Xylenol, 4,5-Dimethylphenol, 1,3,4-Xylenol, Phenol, 3,4-dimethyl-
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 2.2 |
| 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 | 62.5 °C |
| Boiling Point | 225.0 °C at 760 mmHg |
| Density | 0.983 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 66.2 °C ; 5 mmHg at 93.8 °C; 10 mmHg at 107.7 °C |
| Refractive Index | 1.5268 @ 60 °C |
Chemical Identifiers
| CAS Number | 95-65-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)O)C |
| InChIKey | YCOXTKKNXUZSKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二甲基苯酚 (CAS 95-65-8), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: 3,4-dimethylphenol.
Chemical Property Profile of 3,4-二甲基苯酚
Property Insights of 3,4-二甲基苯酚
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二甲基苯酚. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4-二甲基苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二甲基苯酚 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 3,4-二甲基苯酚?
The CAS number of 3,4-二甲基苯酚 is 95-65-8.
What is the molecular formula of 3,4-二甲基苯酚?
The molecular formula of 3,4-二甲基苯酚 is C8H10O.
What is the molecular weight of 3,4-二甲基苯酚?
The molecular weight of 3,4-二甲基苯酚 is 122.07 g/mol.
Where can I buy 3,4-二甲基苯酚?
You can request a quote for 3,4-二甲基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二甲基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二甲基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.