2,2,5-Trimethylhexane-1,3-diol

Base Information

• Chemical Name: 2,2,5-Trimethylhexane-1,3-diol
• CAS No.: 33950-44-6
• Molecular Formula: C9H20O2
• Molecular Weight: 160.25400
• DSSTox Substance ID: DTXSID50546928
• Nikkaji Number: J1.662.299K
• Mol file: 33950-44-6.mol

Synonyms:2,2,5-Trimethylhexane-1,3-diol;33950-44-6;SCHEMBL10772104;2.2.5-Trimethylhexandiol-1.3;DTXSID50546928

Chemical Property of 2,2,5-Trimethylhexane-1,3-diol

Chemical Property:

• Melting Point: 79-81 °C(Solv: hexane (110-54-3))
• Boiling Point: 232.5±8.0 °C(Predicted)
• PSA: 40.46000
• Density: 0.926±0.06 g/cm3(Predicted)
• LogP: 1.41190
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 160.146329876
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(C)(C)CO)O