1,3-Dodecanediol

Base Information

• Chemical Name: 1,3-Dodecanediol
• CAS No.: 39516-24-0
• Molecular Formula: C12H26O2
• Molecular Weight: 202.33400
• DSSTox Substance ID: DTXSID00503541
• Nikkaji Number: J3.007.746F
• Mol file: 39516-24-0.mol

Synonyms:1,3-dodecanediol;DODECANE-1,3-DIOL;39516-24-0;1,3-dihydroxydodecane;SCHEMBL1595979;DTXSID00503541;CHEBI:195421;MFCD22199819;AKOS024257890;BS-51893;EN300-177127

Chemical Property of 1,3-Dodecanediol

Chemical Property:

• Melting Point: 64.43°C (estimate)
• Refractive Index: 1.4640 (estimate)
• Boiling Point: 280.32°C (rough estimate)
• PSA: 40.46000
• Density: 0.9216 (rough estimate)
• LogP: 2.87040
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 202.193280068
• Heavy Atom Count: 14
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

Dodecane-1,3-diol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(CCO)O

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