苯乙酮
TL;DR: 苯乙酮 (CAS 98-86-2) is a chemical compound with molecular formula C8H8O and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙酮
1-phenylethanone
Also Known As: ACETOPHENONE, 1-Phenylethanone, Acetylbenzene, Phenyl methyl ketone, Methyl phenyl ketone
| Molecular Formula | C8H8O |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.05752 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
| Melting Point | 19.7 °C |
| Boiling Point | 201.7 °C at 760 mmHg |
| Density | 1.028 at 20.0 °C |
| Solubility | In water, 6,130 mg/L at 25 °C |
| Flash Point | 82.2 °C |
| Vapor Pressure | 0.39 [mmHg] |
| Refractive Index | 1.5372 at 20 °C |
Chemical Identifiers
| CAS Number | 98-86-2 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1 |
| InChIKey | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯乙酮 (CAS 98-86-2), with molecular formula C8H8O and molecular weight 120.06 g/mol. IUPAC: 1-phenylethanone.
Chemical Property Profile of 苯乙酮
Property Insights of 苯乙酮
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯乙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 苯乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙酮 has 0 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 苯乙酮?
The CAS number of 苯乙酮 is 98-86-2.
What is the molecular formula of 苯乙酮?
The molecular formula of 苯乙酮 is C8H8O.
What is the molecular weight of 苯乙酮?
The molecular weight of 苯乙酮 is 120.06 g/mol.
Where can I buy 苯乙酮?
You can request a quote for 苯乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙酮?
Yes, KEHONG BIO provides custom synthesis services for 苯乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.