Tris(2-ethylhexyl) phosphate

Base Information

• Chemical Name: Tris(2-ethylhexyl) phosphate
• CAS No.: 78-42-2
• Deprecated CAS: 1546892-14-1
• Molecular Formula: C24H51O4P
• Molecular Weight: 434.64
• Hs Code.: 29190090
• European Community (EC) Number: 201-116-6
• ICSC Number: 0968
• NSC Number: 407921
• UNII: BQC0BKB72S
• DSSTox Substance ID: DTXSID0021414
• Nikkaji Number: J1.953D
• Wikidata: Q2454094
• ChEMBL ID: CHEMBL1562290
• Mol file: 78-42-2.mol

Synonyms:2-ethyl-1-hexanol phosphate;tris(2-ethylhexyl)phosphate

Chemical Property of Tris(2-ethylhexyl) phosphate

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid with a slight sharp odor
• Vapor Pressure: 2.1 mm Hg ( 20 °C)
• Melting Point: -70 °C
• Refractive Index: n20/D 1.444(lit.)
• Boiling Point: 405.5 °C at 760 mmHg
• Flash Point: 206.6 °C
• PSA: 54.57000
• Density: 0.92 g/cm³
• LogP: 8.79350
• Storage Temp.: Store below +30°C.
• Solubility.: <0.001g/l
• Water Solubility.: <0.1 g/100 mL at 18℃
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 434.35249710
• Heavy Atom Count: 29
• Complexity: 345

Purity/Quality:

99% ^*data from raw suppliers

Tris(2-ethylhexyl) Phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 23-43-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin.
• Uses: Tris(2-ethylhexyl) Phosphate is used as a phosphorous flame retardant. Used as a plasticizer in the preparation of a new potentiometric membrane sensor. Solvent, antifoaming agent, plasticizer.

Technology Process of Tris(2-ethylhexyl) phosphate

There total 5 articles about Tris(2-ethylhexyl) phosphate 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: 97.8%

2-Ethylhexyl alcohol (104-76-7) → tris(2-ethylhexyl) phosphate (78-42-2)

Guidance literature:

With magnesium chloride; trichlorophosphate; at 20 - 63 ℃; for 4.25h; under 0 - 16 Torr; Pressure; Temperature; Sonication; Inert atmosphere;

Reference yield: 75.0%

2-Ethylhexyl alcohol (104-76-7) → Bis(2-ethylhexyl)phosphoric acid (298-07-7) + tris(2-ethylhexyl) phosphate (78-42-2)

Guidance literature:

With pyridine; trichlorophosphate; In neat (no solvent); at 88 ℃; for 0.0208333h; Microwave irradiation;

DOI:10.13005/ojc/300131

Reference yield: 15.6%

2-Ethylhexyl alcohol (104-76-7) → Bis(2-ethylhexyl)phosphoric acid (298-07-7) + tris(2-ethylhexyl) phosphate (78-42-2) + 2-ethylhexylphosphoric acid (1070-03-7)

Guidance literature:

With phosphorus pentoxide; at 21 ℃; for 0.616667h; Product distribution; Mechanism; var.temps. and time;

upstream raw materials:

2-Ethylhexyl alcohol

tris(2-ethylhexyl) phosphite

Downstream raw materials:

Bis(2-ethylhexyl)phosphoric acid

2-ethylhexylphosphoric acid

Refernces

• 1、 Meddour-Boukhobza, Laaldja,Elias, Abdelhamid,Didi, Mohamed A.. "Solvent-free microwave synthesis of trialkylphosphates". . p. 255 - 259. Retrieved 2014/06/23.