Back to Search
Pentaerythrityl Tetrastearate
CAS: 115-83-3 | C77H148O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 115-83-3
- Molecular Formula
- C77H148O8
- Molecular Mass
- 1202.02 g/mol
Identifiers
CAS Registry Number
115-83-3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChI Key
OCKWAZCWKSMKNC-UHFFFAOYSA-N
InChI
InChI=1S/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
Names and Synonyms
- Pentaerythrityl Tetrastearate Synonym
- Octadecanoic acid, 1,1′-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester Synonym
- Stearic acid, neopentanetetrayl ester Synonym
- Pentaerythritol, tetrastearate Synonym
- Octadecanoic acid, 2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester Synonym
- Stearic acid, tetraester with pentaerythritol Synonym
- Pentaerythrityl tetrastearate Synonym
- Cyclochem PETS Synonym
- Nissan Unister H 476 Synonym
- Deoflow 821 Synonym
- Hexawax Synonym
- Unister H 476 Synonym
- Loxiol VP 861 Synonym
- VPG 861 Synonym
- Aflux 54 Synonym
- Loxiol HOB 7119 Synonym
- EW 400 Synonym
- Loxial 7119 Synonym
- Loxiol P 861 Synonym
- Loxiol VPG 861 Synonym
- Glycolube P(ETS) Synonym
- Rikester EW 440A Synonym
- Glycolube P Synonym
- EW 440A Synonym
- WEP 6 Synonym
- Nissan Electol WEP 6 Synonym
- Loxiol 1206 Synonym
- H 476 Synonym
- Loxiol EP 8578 Synonym
- EP 8578 Synonym
- 3V Synonym
- PETS Synonym
- WB 222 Synonym
- PETS-G Synonym
- RH 313C Synonym
- EW 400 (mold releasing agent) Synonym
- Rikester EW 440AT Synonym
- P 861 Synonym
- D 821 Synonym
- PETS-AHS Synonym
- Unister F 538 Synonym
- Loxiol VPG 881 Synonym
- EW 440 Synonym
- R 0019 Synonym
- Loxiol P 861/3.5 Synonym
- P 861/3.5 Synonym
- Faci L 349 Synonym
- Finalux G 748 Synonym
- T 0104 Synonym
- Laiyinsan 54 Synonym
- Laiyinsan A 54 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1202.02 g/mol | CAS Common Chemistry |
| 1202.022999999999 g/mol | RDKit | |
| 1202.023 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OCKWAZCWKSMKNC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentaerythrityl tetrastearate | CAS Common Chemistry |
| Heavy Atom Count | 85 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 72 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.20000000000002 Ų | RDKit |
| 105.2 Ų | RDKit | |
| LogP | 25.191600000000037 | RDKit |
| 25.1916 | RDKit | |
| 26.76 | chempirical lib | |
| Molar Refractivity | 364.45300000000077 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9481 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 1201.117421696 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
