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95906-11-9,MFCD29918884
Catalog No.:AA01CCM2

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

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100mg
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  • Technical Information
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Technical Information
Catalog Number:
AA01CCM2
Chemical Name:
Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphate (3:1)
CAS Number:
95906-11-9
Molecular Formula:
C42H63O4P
Molecular Weight:
662.9210
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
Properties
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

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

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

Title: 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.

Journal: Bioinformation 20110101

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

Journal: Acta crystallographica. Section E, Structure reports online 20100901

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

Journal: Environmental science & technology 20050915

Title: Vinuchakkaravarthy T, et al. 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. 2011;7(4):199-206.

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Tags:95906-11-9 Molecular Formula|95906-11-9 MDL|95906-11-9 SMILES|95906-11-9 Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphate (3:1)