1-苯乙醇
TL;DR: 1-苯乙醇 (CAS 98-85-1) 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.
1-苯乙醇
1-phenylethanol
Also Known As: 1-Phenylethanol, Styrallyl alcohol, 1-Phenylethan-1-ol, ALPHA-METHYLBENZYL ALCOHOL, Styralyl alcohol
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 1.4 |
| 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 | 74.0 |
| Melting Point | 20.0 °C |
| Boiling Point | 203.9 °C at 745 mmHg |
| Density | 1.015 at 20.0 °C |
| Solubility | less than 1 mg/mL at 67.1 °F (NTP, 1992) |
| Flash Point | 85.0 °C |
| Vapor Pressure | 0.1 mmHg at 20.0 °C ; 1 mmHg at 49.0 °C; 5 mmHg at 75.2 °C |
| Refractive Index | Refractive index = 1.525-1.529 at 20 °C |
Chemical Identifiers
| CAS Number | 98-85-1 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)O |
| InChIKey | WAPNOHKVXSQRPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-苯乙醇 (CAS 98-85-1), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: 1-phenylethanol.
Chemical Property Profile of 1-苯乙醇
Property Insights of 1-苯乙醇
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-苯乙醇. With a topological polar surface area (TPSA) of 20.2 Ų, 1-苯乙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苯乙醇 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 1-苯乙醇?
The CAS number of 1-苯乙醇 is 98-85-1.
What is the molecular formula of 1-苯乙醇?
The molecular formula of 1-苯乙醇 is C8H10O.
What is the molecular weight of 1-苯乙醇?
The molecular weight of 1-苯乙醇 is 122.07 g/mol.
Where can I buy 1-苯乙醇?
You can request a quote for 1-苯乙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-苯乙醇?
Yes, KEHONG BIO provides custom synthesis services for 1-苯乙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.