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Sodium 2,2-methylene-bis(4,6-di-tert-butylphenyl) phosphate

Sodium 2,2-methylene-bis(4,6-di-tert-butylphenyl) phosphate

Name: Sodium 2,2-methylene-bis(4,6-di-tert-butylphenyl) phosphate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C29H42NaO4P

Molecular Weight:

508.61

CAS Number:

85209-91-2

Catalog Number:

BPM-348414

Product Information

Molecular Formula

C29H42NaO4P

Molecular Weight

508.61

Description

Sodium 2,2-methylene-bis(4,6-di-tert-butylphenyl) phosphate is a powerful antioxidant. Renowned for its profound radical scavenging capacities, this compound finds extensive utility in combating ailments linked to oxidative stress. By thwarting the deleterious effects of reactive oxygen species, this formidable entity emerges as an exemplary contender for impeding cellular harm. Furthermore, within pharmaceutical formulations, it assumes the role of a valuable additive, reinforcing its significance in the field.

Synonyms

2,2'-Methylenbis(4,6-di-tert-butylphenyl)phosphate Sodium Salt

IUPAC Name

sodium1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide

Canonical SMILES

CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)[O-].[Na+]

InChI

InChI=1S/C29H43O4P.Na/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9/h14-17H,13H2,1-12H3,(H,30,31)/q+1/p-1

InChI Key

ZHROMWXOTYBIMF-UHFFFAOYSA-M

Boiling Point

510.4°C at 760 mmHg

Purity

95%

Appearance

White to off-white solid

Safety Information

Hazards

H332:
Harmful if inhaled.
H411:
Toxic to aquatic life with long-lasting effects.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P271:
Use only outdoors or in a well-ventilated area.
P273:
Avoid release to the environment.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

QC Data

HPLC

HNMR

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

508.27184110 g/mol

Monoisotopic Mass

508.27184110 g/mol

Topological Polar Surface Area

58.6Å²

Heavy Atom Count

Formal Charge

Complexity

710

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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