2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate]

Base Information

• Chemical Name: 2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate]
• CAS No.: 29598-76-3
• Deprecated CAS: 113285-57-7,72847-47-3,888324-56-9,888324-56-9
• Molecular Formula: C65H124O8S4
• Molecular Weight: 1161.96
• European Community (EC) Number: 249-720-9
• UNII: 6P17RRS98U
• DSSTox Substance ID: DTXSID3027956
• Nikkaji Number: J268.525F
• Wikidata: Q27265257
• Mol file: 29598-76-3.mol

Synonyms:29598-76-3;2,2-BIS[[3-(DODECYLTHIO)-1-OXOPROPOXY]METHYL]PROPANE-1,3-DIYL BIS[3-(DODECYLTHIO)PROPIONATE];Sumilizer TP-D;Neopentanetetrayl 3-(dodecylthio)propionate;EINECS 249-720-9;UNII-6P17RRS98U;6P17RRS98U;Propionic acid, 3-(dodecylthio)-, neopentanetetrayl ester;[3-(3-dodecylsulfanylpropanoyloxy)-2,2-bis(3-dodecylsulfanylpropanoyloxymethyl)propyl] 3-dodecylsulfanylpropanoate;Propanoic acid, 3-(dodecylthio)-, 2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]-1,3-propanediyl ester;Propanoic acid, 3-(dodecylthio)-, 2,2-bis((3-(dodecylthio)-1-oxopropoxy)methyl)-1,3-propanediyl ester;2,2-Bis((3-(dodecylthio)-1-oxopropoxy)methyl)propane-1,3-diyl bis(3-(dodecylthio)propionate);Propanoic acid, 3-(dodecylthio)-, 1,1'-(2,2-bis((3-(dodecylthio)-1-oxopropoxy)methyl)-1,3-propanediyl) ester;pentaerythritol tetrakis(3-laurylthiopropionate);Pentaerythritol Tetrakis[3-laurylthiopropionate];3-{[3-(dodecylthio)propanoyl]oxy}-2,2-bis({[3-(dodecylthio)propanoyl]oxy}methyl)propyl 3-(dodecylthio)propanoate;PROPANOIC ACID, 3-(DODECYLTHIO)-, 2,2-BIS((3-(DODECYLTHIO)- 1-OXOPROPOXY)METHYL)-1,3-PROPANEDIYL ESTER;Propanoic acid, 3-(dodecylthio)-, 2,2-bis[[3-(dodecylthio)- 1-oxopropoxy]methyl]-1,3-propanediyl ester;C65H124O8S4;ADK STAB AO 412S;SCHEMBL38068;DTXSID3027956;MFCD01941092;AKOS025311481;C65-H124-O8-S4;AS-17424;LS-166382;B6301;F88226;Pentaerythrityl tetrakis (b-laurylthiopropionate);A912569;Pentaerythritol tetrakis-(3-dodecylthiopropionate);Q-200331;Q27265257;PENTAERYTHRITOL TETRAKIS(3-(DODECYLTHIO)PROPANOATE);PENTAERYTHRITOL TETRAKIS(3-N-DODECYLTHIOPROPIONATE);TETRAKIS(METHYLENE-3-(DODECYLTHIO)PROPIONATE)METHANE;PENTAERYTHRITOL TETRAKIS(.BETA.-DODECYLTHIOPROPIONATE);Propanoic acid, 3-(dodecylthio)-, 2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl;2,2-BIS(((3-(DODECYLTHIO)PROPANOYL)OXY)METHYL)PROPANE-1,3-DIYL BIS(3-(DODECYLTHIO)PROPANOATE);2,2-BIS((3-(DODECYLTHIO)-1-OXOPROPOXY)METHYL)PROPANE-1,3- DIYL BIS(3-(DODECYLTHIO)PROPIONATE);2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propanoate];PROPANOIC ACID, 3-(DODECYLTHIO)-, 1,1'-(2,2-BIS((3- (DODECYLTHIO)-1-OXOPROPOXY)METHYL)-1,3-PROPANEDIYL) ESTER;PROPANOIC ACID, 3-(DODECYLTHIO)-, 2,2-BIS((3-(DODECYLTHIO)-1-OXOPROPOXY)METHYL)-1,3-PROPANEDIYL ESTER);Propanoic acid, 3-(dodecylthio)-,2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]-1,3-propanediyl ester

Chemical Property of 2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate]

Chemical Property:

• Appearance/Colour: White solid powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: >46.0℃
• Refractive Index: 1.496
• Boiling Point: 998.195 °C at 760 mmHg
• Flash Point: 475.502 °C
• PSA: 206.40000
• Density: 0.992 g/cm³
• LogP: 20.32240
• Water Solubility.: 25μg/L at 19.9℃
• XLogP3: 24.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 68
• Exact Mass: 1160.81790560
• Heavy Atom Count: 77
• Complexity: 1080

Purity/Quality:

99.9% min ^*data from raw suppliers

2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diylbis[3-(dodecylthio)propionate] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC
• Uses: Antioxidant412S is a high performance thioether antioxidant for the stabilization of polyolefins, styrenic polymers, and engineering plastics. Usually Antioxidant 412s is used with phenolic antioxidants so as to strengthen anti aging and light stabilities, and improve the initial color and luster. 2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate] (CAS# 29598-76-3) is an antioxidant and fatty acid derivative as a materials modifier, such as its use as a modifier for the thermal stability of polyol-ester-based thermal pastes.

Technology Process of 2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate]

There total 4 articles about 2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate] which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.2%

Pentaerythritol (115-77-5) + 3-(n-dodecylthio)-propanoic acid,methyl ester (19759-75-2) → pentaerythritol tetrakis(β-dodecylmercapto)propionate (29598-76-3)

Guidance literature:

With [BCl₂(1-methylimidazole)][Al₂Cl₇]; at 120 ℃; for 3h; Reagent/catalyst; Temperature; Large scale;

Reference yield: 97.0%

Pentaerythritol (115-77-5) + acrylic acid (79-10-7) + 1-dodecylthiol (112-55-0) → pentaerythritol tetrakis(β-dodecylmercapto)propionate (29598-76-3)

Guidance literature:

Pentaerythritol; acrylic acid; 1-dodecylthiol; With potassium tert-butylate; triethylamine; In methyl cyclohexane; for 2h;

With bis(trichloromethyl) carbonate; In methyl cyclohexane; for 2h; Solvent; Reagent/catalyst;

Reference yield: 94.7%

→ pentaerythritol tetrakis(β-dodecylmercapto)propionate (29598-76-3)

Guidance literature:

upstream raw materials:

Pentaerythritol

1-dodecene

3-mercaptopropionic acid

3-(n-dodecylthio)-propanoic acid,methyl ester

Refernces

• 1、 -. "Method for synthesizing pentaerythritol tetra (3-lauryl thiopropionate) by one-pot method". Paragraph 0023; 0025-0040. . Retrieved 2021/08/21.
• 2、 -. "Phosphorus-containing compounds, their production and their use as antioxidants". . . Retrieved 2008/06/13.