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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.

External Resources

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

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