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Ao 412S
CAS: 29598-76-3 | C65H124O8S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29598-76-3
Molecular Formula:
C65H124O8S4
Molecular Mass:
1161.97 g/mol
Names and Synonyms:
Ao 412S
Propanoic acid, 3-(dodecylthio)-, 1,1′-[2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]-1,3-propanediyl] ester
Propionic acid, 3-(dodecylthio)-, neopentanetetrayl ester
Propanoic acid, 3-(dodecylthio)-, 2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]-1,3-propanediyl ester
Pentaerythritol tetrakis(3-n-dodecylthiopropionate)
Pentaerythritol tetrakis[3-(dodecylthio)propionate]
Pentaerythritol tetrakis[3-laurylthiopropionate]
Pentaerythritol tetrakis(β-laurylthiopropionate)
Seenox 412S
Pentaerythritol tetrakis(β-dodecylthiopropionate)
Pentaerythritol tetrakis(dodecylthiopropionate)
Sumilizer TP-D
Mark AO 412S
ADK Stab AO 412S
AO 412S
Tetrakis[methylene-3-(dodecylthio)propionate]methane
AO-S 116
TP-D
Naugard 412S
TH 412S
Chinox S 4P
Antioxidant 412S
Pentaerythritol tetra(3-laurylthiopropionate)
PTLP
Thanox 412S
S 4P
Adeka AO 412S
Pentaerythrithol tetrakis(3-dodecylthiopropionate)
ADK Stab AAO 412S
Adekastab AO 412S
Pentaerythrityl tetrakis(3-laurylthiopropionate)
Songnox 4120
2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate]
Rianox 412S
Antioxidant S 4P
Identifiers:
SMILES:
CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC
InChI:
InChI=1S/C65H124O8S4/c1-5-9-13-17-21-25-29-33-37-41-49-74-53-45-61(66)70-57-65(58-71-62(67)46-54-75-50-42-38-34-30-26-22-18-14-10-6-2,59-72-63(68)47-55-76-51-43-39-35-31-27-23-19-15-11-7-3)60-73-64(69)48-56-77-52-44-40-36-32-28-24-20-16-12-8-4/h5-60H2,1-4H3
Key Properties
Melting Point
48-51 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1161.97 g/mol | CAS Common Chemistry |
| 1161.9669999999992 g/mol | RDKit | |
| 1160.8179049280002 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC)CCSCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C65H124O8S4/c1-5-9-13-17-21-25-29-33-37-41-49-74-53-45-61(66)70-57-65(58-71-62(67)46-54-75-50-42-38-34-30-26-22-18-14-10-6-2,59-72-63(68)47-55-76-51-43-39-35-31-27-23-19-15-11-7-3)60-73-64(69)48-56-77-52-44-40-36-32-28-24-20-16-12-8-4/h5-60H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VSVVZZQIUJXYQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48-51 °C | CAS Common Chemistry |
| Name | AO 412S | CAS Common Chemistry |
| Heavy Atom Count | 77 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 64 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.20000000000002 Ų | RDKit |
| LogP | 20.3224 | RDKit |
| Molar Refractivity | 341.41300000000047 | RDKit |
