4-Tert-butyl-2-sec-butylphenol

Base Information

• Chemical Name: 4-Tert-butyl-2-sec-butylphenol
• CAS No.: 51390-14-8
• Molecular Formula: C14H22O
• Molecular Weight: 206.32
• European Community (EC) Number: 421-740-4
• DSSTox Substance ID: DTXSID20335588
• Nikkaji Number: J1.297.743C
• Mol file: 51390-14-8.mol

Synonyms:4-tert-butyl-2-sec-butylphenol;51390-14-8;2-butan-2-yl-4-tert-butylphenol;2-(1-Methylpropyl)-4-tert-butylphenol;EC 421-740-4;2-SEC-BUTYL-4-TERT-BUTYLPHENOL;Phenol,4-(1,1-dimethylethyl)-2-(1-methylpropyl)-;2-Sec-4-tert butylphenol;SCHEMBL2034981;DTXSID20335588;2-sec.-butyl-4-tert.-butylphenol

Chemical Property of 4-Tert-butyl-2-sec-butylphenol

Chemical Property:

• Boiling Point: 278.1±9.0 °C(Predicted)
• PKA: 10.49±0.48(Predicted)
• PSA: 20.23000
• Density: 0.933±0.06 g/cm3(Predicted)
• LogP: 4.20320
• Solubility.: Ether; Ethyl Acetate
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 206.167065321
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

99.9% ^*data from raw suppliers

2-sec-Butyl-4-tert-butylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,N
• Hazard Codes: C,N
• Statements: 34-51/53
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1=C(C=CC(=C1)C(C)(C)C)O
• Uses: 2-sec-Butyl-4-tert-butylphenol is an intermediate in the synthesis of 2-(2H-Benzotriazol-2-yl)-4-(tert-butyl)-6-(sec-butyl)phenol (B206645), which is often used to increase product stability and to prevent discolouration in various consumer and industrial goods such as plastics. Benzotriazole UV stabilizers, such as 2-(2H-Benzotriazol-2-yl)-4-(tert-butyl)-6-(sec-butyl)pheno, are pollutants for the aquatic environment and have been implicated as a potential stable and toxic ligands for the aryl hydrocarbon receptor in human.