3-戊酮
TL;DR: 3-戊酮 (CAS 96-22-0) 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.
3-戊酮
pentan-3-one
Also Known As: 3-PENTANONE, Diethyl ketone, Pentan-3-one, Dimethylacetone, Methacetone
| 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 | 41.0 |
| Melting Point | -42.2 °C |
| Boiling Point | 102.2 °C at 760 mmHg |
| Density | 0.8159 at 19.0 °C - Less dense than water; will float |
| Solubility | 5 % (NIOSH, 2024) |
| Flash Point | 12.8 °C |
| Vapor Pressure | 25.85 mmHg |
| Refractive Index | 1.3905 at 25 °C |
Chemical Identifiers
| CAS Number | 96-22-0 |
|---|---|
| SMILES | CCC(=O)CC |
| InChIKey | FDPIMTJIUBPUKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-戊酮 (CAS 96-22-0), with molecular formula C5H10O and molecular weight 86.07 g/mol. IUPAC: pentan-3-one.
Chemical Property Profile of 3-戊酮
Property Insights of 3-戊酮
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-戊酮. With a topological polar surface area (TPSA) of 17.1 Ų, 3-戊酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-戊酮?
The CAS number of 3-戊酮 is 96-22-0.
What is the molecular formula of 3-戊酮?
The molecular formula of 3-戊酮 is C5H10O.
What is the molecular weight of 3-戊酮?
The molecular weight of 3-戊酮 is 86.07 g/mol.
Where can I buy 3-戊酮?
You can request a quote for 3-戊酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-戊酮?
Yes, KEHONG BIO provides custom synthesis services for 3-戊酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.