Bis(2-ethylhexyl) tetrabromophthalate

Base Information

• Chemical Name: Bis(2-ethylhexyl) tetrabromophthalate
• CAS No.: 26040-51-7
• Deprecated CAS: 118817-35-9,119418-65-4
• Molecular Formula: C₂₄H₃₄Br₄O₄
• Molecular Weight: 706.148
• European Community (EC) Number: 247-426-5
• UNII: 413M0N3V1G
• DSSTox Substance ID: DTXSID7027887
• Nikkaji Number: J308.378K
• Wikidata: Q19931407
• ChEMBL ID: CHEMBL3188536
• Mol file: 26040-51-7.mol

Synonyms:bis(2-ethylhexyl) 2,3,4,5-tetrabromophthalate;di(2-ethylhexyl)tetrabromophthalate

Chemical Property of Bis(2-ethylhexyl) tetrabromophthalate

Chemical Property:

• Appearance/Colour: clear amber liquid
• Vapor Pressure: 1.16E-13mmHg at 25°C
• Refractive Index: 1.541
• Boiling Point: 584.8 °C at 760 mmHg
• Flash Point: 307.5 °C
• PSA: 52.60000
• Density: 1.529 g/cm³
• LogP: 9.48300
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 794μg/L at 20℃
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 705.91496
• Heavy Atom Count: 32
• Complexity: 514

Purity/Quality:

99.9% ^*data from raw suppliers

Pyronil45 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OCC(CC)CCCC
• Uses: Labelled Pyronil 45 Pyronil 45 is a brominated phthalate derivative used in flame-retardant polyvinyl chloride compositions. Flame Retardant A brominated phthalate

Technology Process of Bis(2-ethylhexyl) tetrabromophthalate

There total 7 articles about Bis(2-ethylhexyl) tetrabromophthalate 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:

2-Ethylhexyl alcohol (104-76-7) + Tetrabromophthalic anhydride (632-79-1) → bis(2-ethylhexyl) 2,3,4,5-tetrabromophthalate (26040-51-7)

Guidance literature:

tetra-2-ethylhexyl titanate; at 195 - 205 ℃; Neat (no solvent);

Reference yield:

2-Ethylhexyl alcohol (104-76-7) + Tetrabromophthalic anhydride (632-79-1) + pyrographite (7440-44-0) → bis(2-ethylhexyl) 2,3,4,5-tetrabromophthalate (26040-51-7)

Guidance literature:

With sodium carbonate; magnesium sulfate; Ti(OiPr)4; In water;

Reference yield:

crude benzoate ester + 2-Ethylhexyl alcohol (104-76-7) + Tetrabromophthalic anhydride (632-79-1) → bis(2-ethylhexyl) 2,3,4,5-tetrabromophthalate (26040-51-7) + 2-ethylhexyl 2,3,4,5 tetrabromobenzoate

Guidance literature:

2-Ethylhexyl alcohol; Tetrabromophthalic anhydride; sodium hydrogencarbonate; at 125 ℃;

crude benzoate ester; sodium hydrogencarbonate; at 205 ℃; for 9h;

upstream raw materials:

2-Ethylhexyl alcohol

Tetrabromophthalic anhydride

mono(2-ethylhexyl) tetrabromophthalate

pyrographite

Refernces

• 1、 -. "Process for producing tetrabromobenzoate esters". Page/Page column 7. . Retrieved 2010/02/10.
• 2、 -. "Plasticized polyvinyl chloride compound". Example 1. . Retrieved 2008/06/13.