2-戊酮
TL;DR: 2-戊酮 (CAS 107-87-9) is a chemical compound with molecular formula C5H10O and molecular weight 86.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-戊酮
pentan-2-one
Also Known As: 2-Pentanone, PENTAN-2-ONE, Ethyl acetone, Ethylacetone, Pentanone
| Molecular Formula | C5H10O |
|---|---|
| Molecular Weight | 86.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 86.073166 |
| Heavy Atoms | 6 |
| Complexity | 47.0 |
| Melting Point | -77.8 °C |
| Boiling Point | 212 to 101.1 °C at 760 mmHg |
| Density | 0.809 at 20.0 °C - Less dense than water; will float |
| Solubility | 10 to 50 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 7.2 °C |
| Vapor Pressure | 12 mmHg at 20.0 °C ; 16 mmHg at 25.0 °C; 21 mmHg at 30.0 °C |
| Refractive Index | 1.3895 at 20 °C |
Chemical Identifiers
| CAS Number | 107-87-9 |
|---|---|
| SMILES | CCCC(=O)C |
| InChIKey | XNLICIUVMPYHGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-戊酮 (CAS 107-87-9), with molecular formula C5H10O and molecular weight 86.07 g/mol. IUPAC: pentan-2-one.
Chemical Property Profile of 2-戊酮
Property Insights of 2-戊酮
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-戊酮. With a topological polar surface area (TPSA) of 17.1 Ų, 2-戊酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-戊酮 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 2-戊酮?
The CAS number of 2-戊酮 is 107-87-9.
What is the molecular formula of 2-戊酮?
The molecular formula of 2-戊酮 is C5H10O.
What is the molecular weight of 2-戊酮?
The molecular weight of 2-戊酮 is 86.07 g/mol.
Where can I buy 2-戊酮?
You can request a quote for 2-戊酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-戊酮?
Yes, KEHONG BIO provides custom synthesis services for 2-戊酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.