2,5-己二酮
TL;DR: 2,5-己二酮 (CAS 110-13-4) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-己二酮
hexane-2,5-dione
Also Known As: 2,5-HEXANEDIONE, Acetonylacetone, Hexane-2,5-dione, Diacetonyl, Acetonyl acetone
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
| Melting Point | -5.5 °C |
| Boiling Point | 191.1 °C at 760 mmHg |
| Density | 0.9737 at 20.0 °C - Less dense than water; will float |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 78.9 °C |
| Vapor Pressure | 0.43 mmHg at 20.0 °C ; 1.6 mmHg at 25.0 °C |
Chemical Identifiers
| CAS Number | 110-13-4 |
|---|---|
| SMILES | CC(=O)CCC(=O)C |
| InChIKey | OJVAMHKKJGICOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-己二酮 (CAS 110-13-4), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: hexane-2,5-dione.
Chemical Property Profile of 2,5-己二酮
Property Insights of 2,5-己二酮
The XLogP value of -0.3 indicates that 2,5-己二酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.1 Ų, 2,5-己二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-己二酮 has 0 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 2,5-己二酮?
The CAS number of 2,5-己二酮 is 110-13-4.
What is the molecular formula of 2,5-己二酮?
The molecular formula of 2,5-己二酮 is C6H10O2.
What is the molecular weight of 2,5-己二酮?
The molecular weight of 2,5-己二酮 is 114.07 g/mol.
Where can I buy 2,5-己二酮?
You can request a quote for 2,5-己二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-己二酮?
Yes, KEHONG BIO provides custom synthesis services for 2,5-己二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.