1,1-Bis(p-isobutylphenyl)ethane

Base Information

• Chemical Name: 1,1-Bis(p-isobutylphenyl)ethane
• CAS No.: 102120-87-6
• Molecular Formula: C22H30
• Molecular Weight: 294.47
• UNII: KS0AT8J46G
• DSSTox Substance ID: DTXSID00144655
• Nikkaji Number: J3.657.512C
• Wikidata: Q27282405
• Mol file: 102120-87-6.mol

Synonyms:1,1-Bis(p-isobutylphenyl)ethane;102120-87-6;UNII-KS0AT8J46G;Ibuprofen impurity R [EP];KS0AT8J46G;1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene;Benzene, 1,1'-ethylidenebis(4-(2-methylpropyl)-;Benzene, 1,1'-ethylidenebis[4-(2-methylpropyl)-;1-(2-METHYLPROPYL)-4-{1-[4-(2-METHYLPROPYL)PHENYL]ETHYL}BENZENE;4,4'-(Ethane-1,1-diyl)bis(isobutylbenzene);1,1-di(4-isobutylphenyl)ethane;DTXSID00144655;ZBIVAPCIGWNIEH-UHFFFAOYSA-N;MFCD08275596;1,1-BIS-(4-ISOBUTYLPHENYL)ETHANE;1,1-Bis[4-(2-methylpropyl)phenyl]ethane;IBUPROFEN IMPURITY R [EP IMPURITY];J3.657.512C;Q27282405;1,1'-(Ethane-1,1-diyl)-4,4'-(2-methylpropyl)dibenzene;Ibuprofen Imp. R (EP);Ibuprofen Impurity R

Chemical Property of 1,1-Bis(p-isobutylphenyl)ethane

Chemical Property:

• Boiling Point: 174-184 °C(Press: 2-3 Torr)
• PSA: 0.00000
• Density: 0.924±0.06 g/cm3(Predicted)
• LogP: 6.23540
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile (Slightly), Chloroform, Methanol (Slightly)
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 294.234750957
• Heavy Atom Count: 22
• Complexity: 257

Purity/Quality:

98%, ^*data from raw suppliers

1,1-Bis(p-isobutylphenyl)ethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)C(C)C2=CC=C(C=C2)CC(C)C
• Uses: 1,1-Bis(p-isobutylphenyl)ethane (Ibuprofen EP Impurity R) is an impurity in the synthesis of Ibuprofen (I140000); a selective cyclooxygenase inhibitor (IC50=14.9uM) that inhibits PGH synthase-1 and PGH synthase-2 with comparable potency.