Hydroxyacetone
TL;DR: Hydroxyacetone (CAS 116-09-6) is a chemical compound with molecular formula C3H6O2 and molecular weight 74.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxypropan-2-one
Also Known As: Hydroxyacetone, Acetol, 1-hydroxypropan-2-one, Acetone alcohol, 1-Hydroxy-2-propanone
| Molecular Formula | C3H6O2 |
|---|---|
| Molecular Weight | 74.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 74.03678 |
| Heavy Atoms | 5 |
| Complexity | 40.0 |
| Melting Point | -17 °C |
| Boiling Point | 145.00 to 146.00 °C. @ 760.00 mm Hg |
| Density | 1.079-1.085 (20°) |
| Solubility | 1.00E+06 mg/L @ 20 °C (exp) |
| Vapor Pressure | 2.95 [mmHg] |
| Refractive Index | 1.419-1.430 |
Chemical Identifiers
| CAS Number | 116-09-6 |
|---|---|
| SMILES | CC(=O)CO |
| InChIKey | XLSMFKSTNGKWQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroxyacetone (CAS 116-09-6), with molecular formula C3H6O2 and molecular weight 74.04 g/mol. IUPAC: 1-hydroxypropan-2-one.
Chemical Property Profile of Hydroxyacetone
Property Insights of Hydroxyacetone
The XLogP value of -0.7 indicates that Hydroxyacetone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, Hydroxyacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxyacetone has 1 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 Hydroxyacetone?
The CAS number of Hydroxyacetone is 116-09-6.
What is the molecular formula of Hydroxyacetone?
The molecular formula of Hydroxyacetone is C3H6O2.
What is the molecular weight of Hydroxyacetone?
The molecular weight of Hydroxyacetone is 74.04 g/mol.
Where can I buy Hydroxyacetone?
You can request a quote for Hydroxyacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyacetone?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.