苯氧乙醇
TL;DR: 苯氧乙醇 (CAS 122-99-6) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯氧乙醇
2-phenoxyethanol
Also Known As: 2-PHENOXYETHANOL, Phenoxyethanol, Phenyl cellosolve, Phenoxethol, Phenoxytol
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 77.0 |
| Melting Point | 13.9 °C |
| Boiling Point | 245.2 °C at 760 mmHg |
| Density | 1.104 |
| Solubility | 10 to 50 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 121.1 °C |
| Vapor Pressure | less than 0.01 mmHg at 20.0 °C ; 1 mmHg at 78.0 °C |
| Refractive Index | 1.534 at 20 °C |
| GHS Signal | Danger |
| H-Statements | H302, H318, H335 |
Chemical Identifiers
| CAS Number | 122-99-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCO |
| InChIKey | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯氧乙醇 (CAS 122-99-6), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 2-phenoxyethanol.
Chemical Property Profile of 苯氧乙醇
Property Insights of 苯氧乙醇
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯氧乙醇. With a topological polar surface area (TPSA) of 29.5 Ų, 苯氧乙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯氧乙醇 has 1 hydrogen bond donor(s) and 2 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 苯氧乙醇?
The CAS number of 苯氧乙醇 is 122-99-6.
What is the molecular formula of 苯氧乙醇?
The molecular formula of 苯氧乙醇 is C8H10O2.
What is the molecular weight of 苯氧乙醇?
The molecular weight of 苯氧乙醇 is 138.07 g/mol.
Where can I buy 苯氧乙醇?
You can request a quote for 苯氧乙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯氧乙醇?
Yes, KEHONG BIO provides custom synthesis services for 苯氧乙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.