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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
Doverphos S 680
Distearyl Pentaerythritol Diphosphite
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)-
Phosphorous acid, cyclic neopentanetetrayl dioctadecyl ester
Phosphorous acid, octadecyl ester, cyclic diester with pentaerythritol
Phosphorous acid, dicyclic ester with pentaerythritol, dioctadecyl ester
Pentaerythritol, cyclic bis(octadecyl phosphite)
3,9-Bis(octadecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Distearyl pentaerythritol diphosphite
Weston 618
Pentaerythritol bis(octadecyl) diphosphite
Distearyl pentaerythrityl diphosphite
Cyclic neopentanetetraylbis(octadecyl phosphite)
Weston WX 618
Dioctadecyl pentaerythritol diphosphite
P 1 (antioxidant)
Pentaerythritol bis(stearyl phosphite)
Mark PEP 8
PEP 8
HI-M-P
Weston MDW 618
Distearyl pentaerythritol disphosphite
JPP 2000
Phos 4
Pentaerythritol bis(octadecyl phosphite)
ADK Stab PEP 8
Weston 618F
AO 118
Antioxidant 118
ADK Stab PEP 8F
Dioctadecyl pentaerythritol diphosphonite
Weston 619F
Antioxidant 618
619F
PEP 8T
Heat Stabilizer 618
S 682F
Songnox 6180
Antioxidant 619
Bis(octadecyl) pentaerythritol diphosphite
3,9-Dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
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 |
