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Phos 5
CAS: 26741-53-7 | C33H50O6P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26741-53-7
Molecular Formula:
C33H50O6P2
Molecular Weight:
604.705 g/mol
Names and Synonyms:
Phos 5
Bis(2,4-Di-Tert-Butylphenyl) Pentaerythritol Diphosphite
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis[2,4-bis(1,1-dimethylethyl)phenoxy]-
Phosphorous acid, cyclic neopentanetetrayl bis(2,4-di-tert-butylphenyl) ester
Phenol, 2,4-di-tert-butyl-, dihydrogen phosphite cyclic neopentanetetrayl ester
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(2,4-di-tert-butylphenoxy)-
3,9-Bis[2,4-bis(1,1-dimethylethyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Pentaerythritol bis(2,4-di-tert-butylphenyl phosphite)
Weston MDW 626
Bis(2,4-di-tert-butylphenyl) pentaerythritol diphosphite
Ultranox 624
Weston 626
Ultranox 626
Weston 624
Mark PEP 24
Alkanox P 24
Mark PEP 24G
Ultranox 626A
ADK Stab PEP 24G
ADK Stab PEP 24
PEP 24G
Ultranox 2879A
Cyclic neopentanetetrayl bis(2,4-di-tert-butylphenyl phosphite)
Doverphos S 9432
Irgafos 126
PEP 24
Di(2,4-di-tert-butylphenyl)pentaerythritol diphosphite
Irgafos 126FF
Ultranox 640
AT 626
PEP 24Q
Antioxidant 626
Songnox 6260
KY 626
Pentaerythritol bis(2,4-di-tert-butylphenyl) diphosphite
Antioxidant 242
Magnafloc 6260
PL 34
Antioxidant 6260
Ultranox 626GE
Irganox 242
UV 242
Antioxidant TH 24
Yiphos 3026
Songnox 6260PW
Bis(2,4-di-tert-butylphenyl)pentraerythritol diphosphite
Antioxidant 126
Ultranox 627AV
Sonox 626
Bis(2,4-di-t-butylphenyl)pentaerythritol diphosphite
Pentaerythritol bis(2,4-di-tert-butylbenzyl) diphosphite
Antioxidant 3026
Irgafos 626
RC 626
H 175
Bruggolen H 175
Antioxidant 24
THP 24
3,9-Bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Antioxidant 627A
Songnox 6260FF
3,9-Bis(2,4-ditert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Richfos 626
Sonox 627
Identifiers:
SMILES:
CC(C)(C)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)OC3)c(C(C)(C)C)c1
InChI:
InChI=1S/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 604.705 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 604.30826258 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 41 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 9.868199999999998 | RDKit |
| molecular_mass | 604.71 g/mol | Legacy Database |
| cas-canonical-smile | O(C1=CC=C(C=C1C(C)(C)C)C(C)(C)C)P2OCC3(CO2)COP(OC4=CC=C(C=C4C(C)(C)C)C(C)(C)C)OC3 None | Legacy Database |
| cas-inchi | InChI=1S/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3 None | Legacy Database |
| cas-inchi-key | InChIKey=AIBRSVLEQRWAEG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 178 °C None | Legacy Database |
| cas-name | Bis(2,4-di-tert-butylphenyl) pentaerythritol diphosphite None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 169.02099999999953 | RDKit |
