Acetoxyacetone
TL;DR: Acetoxyacetone (CAS 592-20-1) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxopropyl acetate
Also Known As: Acetoxyacetone, 2-Oxopropyl acetate, Acetonyl acetate, Acetol acetate, O-Acetylacetol
| Molecular Formula | C5H8O3 |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.04734 |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
| Boiling Point | 66.00 °C. @ 12.00 mm Hg |
| Solubility | slightly |
| Vapor Pressure | 1.0 [mmHg] |
Chemical Identifiers
| CAS Number | 592-20-1 |
|---|---|
| SMILES | CC(=O)COC(=O)C |
| InChIKey | DBERHVIZRVGDFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetoxyacetone (CAS 592-20-1), with molecular formula C5H8O3 and molecular weight 116.05 g/mol. IUPAC: 2-oxopropyl acetate.
Chemical Property Profile of Acetoxyacetone
Property Insights of Acetoxyacetone
The XLogP value of -0.1 indicates that Acetoxyacetone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, Acetoxyacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetoxyacetone has 0 hydrogen bond donor(s) and 3 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 Acetoxyacetone?
The CAS number of Acetoxyacetone is 592-20-1.
What is the molecular formula of Acetoxyacetone?
The molecular formula of Acetoxyacetone is C5H8O3.
What is the molecular weight of Acetoxyacetone?
The molecular weight of Acetoxyacetone is 116.05 g/mol.
Where can I buy Acetoxyacetone?
You can request a quote for Acetoxyacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetoxyacetone?
Yes, KEHONG BIO provides custom synthesis services for Acetoxyacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.