2,4,6-Tributylphenol

Base Information

• Chemical Name: 2,4,6-Tributylphenol
• CAS No.: 5857-00-1
• Molecular Formula: C18H30O
• Molecular Weight: 262.4302
• European Community (EC) Number: 227-480-6
• UNII: 1UER63R69F
• DSSTox Substance ID: DTXSID50974126
• Nikkaji Number: J155.467K
• Wikidata: Q27252909
• Mol file: 5857-00-1.mol

Synonyms:2,4,6-Tributylphenol;5857-00-1;EINECS 227-480-6;UNII-1UER63R69F;1UER63R69F;2,4,6-tri-butylphenol;Phenol, 2,4,6-tributyl-;SCHEMBL201692;DTXSID50974126;Q27252909

Chemical Property of 2,4,6-Tributylphenol

Chemical Property:

• Vapor Pressure: 8.56E-06mmHg at 25°C
• Boiling Point: 363.5°C at 760 mmHg
• PKA: 11.38±0.23(Predicted)
• Flash Point: 163.9°C
• PSA: 20.23000
• Density: 0.919g/cm³
• LogP: 5.42000
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 262.229665576
• Heavy Atom Count: 19
• Complexity: 196

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC(=C(C(=C1)CCCC)O)CCCC

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