1-Hydroxytridecan-4-one

Base Information

• Chemical Name: 1-Hydroxytridecan-4-one
• CAS No.: 77328-82-6
• Molecular Formula: C₁₃H₂₆O₂
• Molecular Weight: 214.348
• DSSTox Substance ID: DTXSID40553883
• Nikkaji Number: J502.059J
• Wikidata: Q82434593

Synonyms:1-hydroxytridecan-4-one;77328-82-6;SCHEMBL14180532;DTXSID40553883

Chemical Property of 1-Hydroxytridecan-4-one

Chemical Property:

• Melting Point: 41-42 °C
• Boiling Point: 329.4±25.0 °C(Predicted)
• PSA: 37.30000
• Density: 0.901±0.06 g/cm3(Predicted)
• LogP: 3.46870
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 214.193280068
• Heavy Atom Count: 15
• Complexity: 144

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)CCCO

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