3,9-Bis(2,4-dicumylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

Product Information

Molecular Formula:
C53H58O6P2
Molecular Weight:
852.97
Description
UV absorber.
Synonyms
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
IUPAC Name
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Canonical SMILES
CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)OP3OCC4(CO3)COP(OC4)OC5=C(C=C(C=C5)C(C)(C)C6=CC=CC=C6)C(C)(C)C7=CC=CC=C7)C(C)(C)C8=CC=CC=C8
InChI
InChI=1S/C53H58O6P2/c1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42/h9-34H,35-38H2,1-8H3
InChI Key
WBWXVCMXGYSMQA-UHFFFAOYSA-N
Boiling Point
778.2 °C at 760 mmHg
Flash Point
233.6 °F
Purity
98 %
Appearance
Powder
Refractive Index
n20/D 1.574 (lit.)
LogP
13.98180

Safety Information

Precautionary Statement
P273, and P501
Signal Word
Warning

Computed Properties

XLogP3
14.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
12
Exact Mass
852.37086356 g/mol
Monoisotopic Mass
852.37086356 g/mol
Topological Polar Surface Area
55.4Ų
Heavy Atom Count
61
Formal Charge
0
Complexity
1240
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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US-2022041822-A1 Polymer Compositions Having an Improved Printable Surface and Related Methods 2020-08-10
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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