2-乙基苯酚
TL;DR: 2-乙基苯酚 (CAS 90-00-6) 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-乙基苯酚
2-ethylphenol
Also Known As: 2-ETHYLPHENOL, o-Ethylphenol, Phlorol, Phenol, o-ethyl-, Phenol, 2-ethyl-
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| Melting Point | -27.8 °C |
| Boiling Point | 204.5 °C at 760 mmHg |
| Density | 1.037 |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 78.3 °C |
| Vapor Pressure | 1 mmHg at 46.2 °C ; 5 mmHg at 73.4 °C; 10 mmHg at 87.0 °C |
| Refractive Index | MAX ABSORPTION (CYCLOHEXANE): 270 NM (LOG E= 3.30), 276 NM (LOG E= 3.28); 1.5367 @ 20 °C |
Chemical Identifiers
| CAS Number | 90-00-6 |
|---|---|
| SMILES | CCC1=CC=CC=C1O |
| InChIKey | IXQGCWUGDFDQMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基苯酚 (CAS 90-00-6), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: 2-ethylphenol.
Chemical Property Profile of 2-乙基苯酚
Property Insights of 2-乙基苯酚
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙基苯酚. With a topological polar surface area (TPSA) of 20.2 Ų, 2-乙基苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基苯酚 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-乙基苯酚?
The CAS number of 2-乙基苯酚 is 90-00-6.
What is the molecular formula of 2-乙基苯酚?
The molecular formula of 2-乙基苯酚 is C8H10O.
What is the molecular weight of 2-乙基苯酚?
The molecular weight of 2-乙基苯酚 is 122.07 g/mol.
Where can I buy 2-乙基苯酚?
You can request a quote for 2-乙基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.