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Bis(2,4-Dicumylphenyl) Pentaerythritol Diphosphite
CAS: 154862-43-8 | C53H58O6P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
154862-43-8
Molecular Formula:
C53H58O6P2
Molecular Mass:
852.99 g/mol
Names and Synonyms:
Bis(2,4-Dicumylphenyl) Pentaerythritol Diphosphite
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis[2,4-bis(1-methyl-1-phenylethyl)phenoxy]-
3,9-Bis[2,4-bis(1-methyl-1-phenylethyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Bis(2,4-dicumylphenyl) pentaerythritol diphosphite
Doverphos S 9228
ADK Stab PEP 45
Alkanox 28
Doverphos S 9228T
S 9228T
P 92
P 92 (stabilizer)
Doverphos 9228
Bis[2,4-bis(1-methyl-1-phenylethyl)phenyl] pentaerythritol diphosphite
S 9228
Doverphos S 9228PC
Doverphos S 9229PC
Antioxidant 852
Antioxidant 9228
S 9228PC
Antioxidant 608
Revonox 608
Antioxidant S 9228
T 9228
Identifiers:
SMILES:
CC(C)(c1ccccc1)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)c4ccccc4)cc2C(C)(C)c2ccccc2)OC3)c(C(C)(C)c2ccccc2)c1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 852.99 g/mol | CAS Common Chemistry |
| 852.989 g/mol | RDKit | |
| 852.370862836 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=C(C=C1C(C=2C=CC=CC2)(C)C)C(C=3C=CC=CC3)(C)C)P4OCC5(CO4)COP(OC6=CC=C(C=C6C(C=7C=CC=CC7)(C)C)C(C=8C=CC=CC8)(C)C)OC5 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=WBWXVCMXGYSMQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(2,4-dicumylphenyl) pentaerythritol diphosphite | CAS Common Chemistry |
| Heavy Atom Count | 61 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
| LogP | 13.981799999999971 | RDKit |
| Molar Refractivity | 248.50099999999915 | RDKit |
