2-(1-Methylethenyl)-6-(1-methylethyl)phenol

Base Information

• Chemical Name: 2-(1-Methylethenyl)-6-(1-methylethyl)phenol
• CAS No.: 74926-89-9
• Molecular Formula: C12H16O
• Molecular Weight: 176.25484
• UNII: C466146QUN
• DSSTox Substance ID: DTXSID20225899
• Nikkaji Number: J3.022.990H
• Wikidata: Q27275173
• Mol file: 74926-89-9.mol

Synonyms:74926-89-9;2-(1-Methylethenyl)-6-(1-methylethyl)phenol;2-Isopropenyl-6-isopropylphenol;2-Isopropyl-6-(prop-1-en-2-yl)phenol;2-propan-2-yl-6-prop-1-en-2-ylphenol;C466146QUN;Phenol, 2-(1-methylethenyl)-6-(1-methylethyl)-;Propofol impurity B [EP];UNII-C466146QUN;SCHEMBL4772088;DTXSID20225899;MFCD29919452;PROPOFOL IMPURITY B [EP IMPURITY];DB-261233;F78339;Q27275173;Propofol Imp. B (EP);Propofol Impurity B

Chemical Property of 2-(1-Methylethenyl)-6-(1-methylethyl)phenol

Chemical Property:

• Boiling Point: 261.4±19.0 °C(Predicted)
• PKA: 10.26±0.35(Predicted)
• PSA: 20.23000
• Density: 0.959±0.06 g/cm3(Predicted)
• LogP: 3.54870
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

95% min ^*data from raw suppliers

2-Isopropenyl-6-isopropylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(=C)C)O
• Uses: 2-Isopropenyl-6-isopropylphenol is an alkylphenol derivative with anesthetic activity. 2-Isopropenyl-6-isopropylphenol (Propofol EP Impurity B) is an alkylphenol derivative with anesthetic activity.