ChemicalBook--->CAS DataBase List--->558484-21-2

558484-21-2

558484-21-2 Structure

558484-21-2 Structure
IdentificationBack Directory
[Name]

DoPAT
[CAS]

558484-21-2
[Synonyms]

DoPAT
2-(Dodecylthiocarbonothioylthio)propanoic acid
2-(Dodecylthiocarbonothioylthio)propionic acid
2-[[(Dodecylthio)thioxomethyl]thio]propanoic acid
2-(Dodecylthiocarbonothioylthio)propionic acid 97%
Propanoic acid, 2-[[(dodecylthio)thioxomethyl]thio]-
2-[(Dodecylsulfanylthiocarbonyl) sulfanyl]propanoic Acid
2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}propanoic acid
[Molecular Formula]

C16H30O2S3
[MDL Number]

MFCD22200510
[MOL File]

558484-21-2.mol
[Molecular Weight]

350.6
Chemical PropertiesBack Directory
[Melting point ]

78-82℃
[Boiling point ]

499.5±24.0 °C(Predicted)
[density ]

1.093±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder or crystals
[pka]

2.93±0.10(Predicted)
[Appearance]

Light yellow to yellow Solid
[InChI]

InChI=1S/C16H30O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(19)21-14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18)
[InChIKey]

CFCFZJHCTNKHGJ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(SC(SCCCCCCCCCCCC)=S)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335-H413
[Precautionary statements ]

P273-P302+P352-P305+P351+P338
[Hazard Codes ]

F
[Risk Statements ]

10
[Safety Statements ]

15-16
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 4
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Propionic acid-->1-Dokosanethiol
Hazard InformationBack Directory
[Uses]

RAFT agent for controlled radical polymerization; especially suited for the polymerization of styrene, acrylate and acrylamide monomers. Chain Transfer Agent (CTA)
[Uses]

RAFT agent for controlled radical polymerization; especially suited for the polymerization of styrene, acrylate and acrylamide monomers. Chain Transfer Agent (CTA)
[Definition]

2-(Dodecylthiocarbonothioylthio)propionic acid (DoPAT) is a trithiocarbonate reversible addition–fragmentation chain transfer (RAFT) agent. DADMAC was polymerized in aqueous solution employing 2,2′-azobis(2-methylpropionamidine)-dihydrochloride as the free-radical initiator and DoPAT as the controlling RAFT agent. 2-(Dodecylthiocarbonothioylthio)propionic acid could only be activated under blue light[1-2].
[General Description]

Need help choosing the correct RAFT Agent? Please consult the RAFT Agent to Monomer compatibility table.
[References]

[1] James P. Blinco . “Living characteristics of the free-radical ring-closing polymerization of diallyldimethylammonium chloride.” European Polymer Journal 47 1 (2011): Pages 111-114.
[2] Sivaprakash Shanmugam. “Catalyst-Free Selective Photoactivation of RAFT Polymerization: A Facile Route for Preparation of Comblike and Bottlebrush Polymers.” Macromolecules 51 19 (2018): 7776–7784.
Spectrum DetailBack Directory
[Spectrum Detail]

DoPAT(558484-21-2)1HNMR
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