Name: Name:Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphate (3:1)
Brand: Angene
SKU: AG01CCOU
Rating: 90 (10 reviews)

Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphate (3:1)

CAS No.:

95906-11-9

Catalog Number:

AG01CCOU

Molecular Formula:

C42H63O4P

Molecular Weight:

662.9210

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Product Description

Catalog Number:

AG01CCOU

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

IUPAC Name:

tris(2,4-ditert-butylphenyl) phosphate

InChI:

InChI=1S/C42H63O4P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)44-47(43,45-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)46-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3

InChI Key:

AZSKHRTUXHLAHS-UHFFFAOYSA-N

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

UNII:

F32IRS6B46

Properties

Complexity:

920

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

662.446g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

662.936g/mol

Monoisotopic Mass:

662.446g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
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