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Mark PEP 8F
CAS: 3806-34-6 | C41H82O6P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3806-34-6
Molecular Formula:
C41H82O6P2
Molecular Weight:
733.0489999999993 g/mol
Names and Synonyms:
Mark PEP 8F
Synonym
Doverphos S 680
Synonym
Distearyl Pentaerythritol Diphosphite
Synonym
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)-
Synonym
Phosphorous acid, cyclic neopentanetetrayl dioctadecyl ester
Synonym
Phosphorous acid, octadecyl ester, cyclic diester with pentaerythritol
Synonym
Phosphorous acid, dicyclic ester with pentaerythritol, dioctadecyl ester
Synonym
Pentaerythritol, cyclic bis(octadecyl phosphite)
Synonym
3,9-Bis(octadecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Synonym
Distearyl pentaerythritol diphosphite
Synonym
Weston 618
Synonym
Pentaerythritol bis(octadecyl) diphosphite
Synonym
Distearyl pentaerythrityl diphosphite
Synonym
Cyclic neopentanetetraylbis(octadecyl phosphite)
Synonym
Weston WX 618
Synonym
Dioctadecyl pentaerythritol diphosphite
Synonym
P 1 (antioxidant)
Synonym
Pentaerythritol bis(stearyl phosphite)
Synonym
Mark PEP 8
Synonym
PEP 8
Synonym
HI-M-P
Synonym
Weston MDW 618
Synonym
Distearyl pentaerythritol disphosphite
Synonym
JPP 2000
Synonym
Phos 4
Synonym
Pentaerythritol bis(octadecyl phosphite)
Synonym
ADK Stab PEP 8
Synonym
Weston 618F
Synonym
AO 118
Synonym
Antioxidant 118
Synonym
ADK Stab PEP 8F
Synonym
Dioctadecyl pentaerythritol diphosphonite
Synonym
Weston 619F
Synonym
Antioxidant 618
Synonym
619F
Synonym
PEP 8T
Synonym
Heat Stabilizer 618
Synonym
S 682F
Synonym
Songnox 6180
Synonym
Antioxidant 619
Synonym
Bis(octadecyl) pentaerythritol diphosphite
Synonym
3,9-Dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Synonym
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCOP1OCC2(CO1)COP(OCCCCCCCCCCCCCCCCCC)OC2
InChI:
InChI=1S/C41H82O6P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-48-44-37-41(38-45-48)39-46-49(47-40-41)43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 733.05 g/mol | Legacy Database |
| cas-canonical-smile | O(P1OCC2(CO1)COP(OCCCCCCCCCCCCCCCCCC)OC2)CCCCCCCCCCCCCCCCCC None | Legacy Database |
| cas-inchi | InChI=1S/C41H82O6P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-48-44-37-41(38-45-48)39-46-49(47-40-41)43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PZRWFKGUFWPFID-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 40 °C None | Legacy Database |
| cas-name | Distearyl pentaerythritol diphosphite None | Legacy Database |
| LogP | 15.076399999999964 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 733.0489999999993 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 732.5586636039999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 49 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 36 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 211.07699999999906 | RDKit |