Kethoxal

Base Information

• Chemical Name: Kethoxal
• CAS No.: 27762-78-3
• Molecular Formula: C6H12 O4
• Molecular Weight: 148.1571
• European Community (EC) Number: 688-603-0
• UNII: E00MDP82S4
• DSSTox Substance ID: DTXSID90950449
• Nikkaji Number: J10.409D
• Wikipedia: Kethoxal
• Wikidata: Q25112687
• NCI Thesaurus Code: C83855
• Metabolomics Workbench ID: 60374
• ChEMBL ID: CHEMBL2106348
• Mol file: 27762-78-3.mol

Synonyms:3-ethoxy-1,1-dihydroxy-2-butanone;3-ethoxy-2-oxobutyraldehyde;kethocal;kethoxal

Chemical Property of Kethoxal

Chemical Property:

• Appearance/Colour: Clear yellow to orange-yellow liquid
• Vapor Pressure: 0.00415mmHg at 25°C
• Melting Point: <25 °C
• Refractive Index: nD23.7 1.4348
• Boiling Point: 247.6 °C at 760 mmHg
• PKA: 10.63±0.41(Predicted)
• Flash Point: 99.5 °C
• PSA: 66.76000
• Density: 1.168 g/cm³
• LogP: -0.70880
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 148.07355886
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%Min ^*data from raw suppliers

KETHOXAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C)C(=O)C(O)O
• Uses: Antiviral.

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