95906-11-9 | Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphate (3:1)

Availability
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Description

• Catalog Number: AW55734
• Chemical Name: Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphate (3:1)
• CAS Number: 95906-11-9
• Molecular Formula: C42H63O4P
• Molecular Weight: 662.921
• MDL Number: MFCD29918884
• SMILES: O=P(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C

Computed Properties

• Complexity: 920
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 47
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• XLogP3: 15

Literature

• Identification and quantification of the migration of chemicals from plastic baby bottles used as substitutes for polycarbonate.

  Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20120101

• Active compound from the leaves of Vitex negundo L. shows anti-inflammatory activity with evidence of inhibition for secretory Phospholipase A(2) through molecular docking.

  Bioinformation 20110101

• Tris(2,4-di-tert-butyl-phen-yl) phosphate.

  Acta crystallographica. Section E, Structure reports online 20100901

• Combustion products of plastics as indicators for refuse burning in the atmosphere.

  Environmental science & technology 20050915