Tris(2-hydroxyethyl) isocyanurate

Base Information

• Chemical Name: Tris(2-hydroxyethyl) isocyanurate
• CAS No.: 839-90-7
• Deprecated CAS: 63118-42-3,248590-65-0,1027769-55-6,248590-65-0
• Molecular Formula: C9H15N3O6
• Molecular Weight: 261.235
• Hs Code.: 2933.69
• European Community (EC) Number: 212-660-9
• NSC Number: 11680
• UNII: N7W2MH0P2M
• DSSTox Substance ID: DTXSID4026266
• Nikkaji Number: J2.115F
• Wikidata: Q27284684
• ChEMBL ID: CHEMBL1869132
• Mol file: 839-90-7.mol

Synonyms:839-90-7;Tris(2-hydroxyethyl) isocyanurate;1,3,5-Tris(2-hydroxyethyl)cyanuric acid;Theic;1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione;Tris(hydroxyethyl) cyanurate;Tris(2-hydroxyethyl)isocyanurate;Tris(2-hydroxyethyl)cyanurate;Tris(hydroxyethyl) isocyanurate;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)-;1,3,5-Tris(2-hydroxyethyl)triazine-2,4,6-trione;Isocyanuric acid tris(2-hydroxyethyl) ester;NSC 11680;CCRIS 6113;1,3,5-Tris(2-hydroxyethyl)isocyanurate;HSDB 6135;N,N',N''-Tris(2-hydroxyethyl)isocyanurate;Tris(2-hydroxyethyl)-1,3,5-triazinetrione;1,3,5-Tris(2-hydroxyethyl)isocyanuric acid;N,N',N''-Tris(2-hydroxyethyl) isocyanurate;1,3,5-Tris(2-hydroxyethyl) isocyanuric acid;Tris(beta-hydroxyethyl) isocyanurate;EINECS 212-660-9;1,3,5-TRIS(2-HYDROXYETHYL) ISOCYANURATE;UNII-N7W2MH0P2M;Tris(.beta.-hydroxyethyl) isocyanurate;N7W2MH0P2M;1,3,5-Tris(2-hydroxyethyl)cyanuricacid;AI3-60291;DTXSID4026266;Tris(2-hydroxyethyl)-s-triazine-2,4,6-trione;s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)-;NSC-11680;EC 212-660-9;DTXCID206266;CAS-839-90-7;Tanac;Theic P;Theic PW;THEIC-G;NF-SE;Oprea1_852228;SCHEMBL35878;CHEMBL1869132;NSC11680;Tox21_201489;Tox21_303239;MFCD00003549;STK370880;1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione;AKOS005445692;1,5-Tris(2-hydroxyethyl) isocyanurate;LS-1833;N,N''-Tris(2-hydroxyethyl)isocyanurate;NCGC00164136-01;NCGC00164136-02;NCGC00257207-01;NCGC00259040-01;1,5-Tris(2-hydroxyethyl)isocyanuric acid;AC-11729;1 3 5-Tris(2-hydroxyethyl) isocyanurate;1 3 5-Tris(2-hydroxyethyl)cyanuric acid;1,3,5-Tris (2-hidroxietil) isocianurato;CS-0158320;FT-0606528;T0674;N N' N''-Tris(2-hydroxyethyl) isocyanurate;1,3,5-Tris(2-hydroxyethyl)isocyanurate, 97%;F11276;A840696;W-104126;Q27284684;1,3,5-TRIS(2-HYDROXYETHYL) ISOCYANURATE [HSDB];1 3 5-Tris(2-hydroxyethyl)-1 3 5-triazine-2 4 6-trione;1,3,5-TRIS(2-HYDROXYETHYL) TRIAZINE-2,4,6-TRIONE;s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2-hydroxyethyl)-;1,3,5-tris(2-hydroxy-ethyl)-[1,3,5]triazinane-2,4,6-trione;1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione #;1,3,5-tris-(2-hydroxyethyl)-s-triazine-2,4,6-(1h,3h,5h)-trione;s-triazina-2, 4,6 (1H, 3H, 5H)-triona, tris (2-hidroxietil);s-Triazine-2,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)-;s-Triazine-246(1H3H5H)-trione tris(2-hydroxyethyl)-(6CI7CI);s-Triazine-246(1H3H5H)-trione135-tris(2-hydroxyethyl)-(8CI);1 3 5-Tris(2-hydroxyethyl)-1 3 5-triazine-2 4 6(1H 3H 5H)-trione;1,3,5-tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6-(1h, 3h, 5h)-trione;1,3,5-tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6-(1h,3h,5h)-trione;1,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)-;s-triazina-2, 4,6 (1H, 3H, 5H)-triona,1,3,5-tris (2-hidroxietil);1,3,5-triazina-2, 4,6 (1h, 3h, 5h)-triona, 1,3,5-tris (2-hidroxietil)-;1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS(2- HYDROXYETHYL)-;S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS(2- HYDROXYETHYL)-

Chemical Property of Tris(2-hydroxyethyl) isocyanurate

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.001Pa at 50℃
• Melting Point: 136-140 °C
• Boiling Point: 526.7 °C at 760 mmHg
• PKA: 14.03±0.10(Predicted)
• Flash Point: 272.3 °C
• PSA: 126.69000
• Density: 1.498 g/cm³
• LogP: -3.85140
• Storage Temp.: Store below +30°C.
• Solubility.: 1150g/l
• Water Solubility.: 572g/L at 20℃
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 261.09608521
• Heavy Atom Count: 18
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

1,3,5-Tris(2-hydroxyethyl)cyanuric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Other Monomers
• Canonical SMILES: C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO
• Uses: Additive to plastics, especially to impart thermal stability. 1,3,5-Tris(2-hydroxyethyl)cyanuric Acid, is a building block that can be used in polymer science. It has also shown to have synergistic flame retardancy properties.

Technology Process of Tris(2-hydroxyethyl) isocyanurate

There total 3 articles about Tris(2-hydroxyethyl) isocyanurate 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:

isocyanuric acid (108-80-5) + 2-chloro-ethanol (107-07-3) → 1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione (839-90-7)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 80 - 85 ℃; Reagent/catalyst; Temperature; Solvent;

Reference yield:

cyanuric acid (108-80-5,27026-93-3,27941-25-9) + 2-chloro-ethanol (107-07-3) → 1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione (839-90-7)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) HMPA, 100 deg C, 3 h, 2.) HMPA, 100 deg C, 7 h;

DOI:10.1080/00397919308013795

Reference yield:

→ 1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione (839-90-7)

Guidance literature:

DOI:10.1021/jo01081a029

upstream raw materials:

cyanuric acid

2-chloro-ethanol

isocyanuric acid

Downstream raw materials:

C₃₃H₃₀N₆O₁₈

1,3,5-tri(2-chloroethyl)-1,3,5-triazine-2,4,6-trione

1,3,5-tris(2-tosylethyl)-1,3,5-triazine-2,4,6-trione

tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate

Refernces

• 1、 -. "Piperidyl organosiloxanes and polymer substrates light-stabilized therewith". . . Retrieved 2008/06/13.