1,4,5-Trihydroxypentan-2-one

Base Information

• Chemical Name: 1,4,5-Trihydroxypentan-2-one
• CAS No.: 3343-53-1
• Molecular Formula: C5H10O4
• Molecular Weight: 134.1305
• DSSTox Substance ID: DTXSID00955061
• Mol file: 3343-53-1.mol

Synonyms:1,4,5-trihydroxypentan-2-one;3-Deoxypentulose;3343-53-1;2-Pentanone, 1,4,5-trihydroxy-;SCHEMBL12871589;DTXSID00955061;AKOS006372786;W-202367

Chemical Property of 1,4,5-Trihydroxypentan-2-one

Chemical Property:

• Vapor Pressure: 2.96E-07mmHg at 25°C
• Boiling Point: 377.7°Cat760mmHg
• Flash Point: 196.4°C
• PSA: 77.76000
• Density: 1.326g/cm³
• LogP: -1.70890
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 134.05790880
• Heavy Atom Count: 9
• Complexity: 91

Purity/Quality:

99%, ^*data from raw suppliers

3-Deoxypentulose ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CO)O)C(=O)CO