Tris(2-butoxyethyl) phosphate

Base Information

• Chemical Name: Tris(2-butoxyethyl) phosphate
• CAS No.: 78-51-3
• Deprecated CAS: 119166-98-2,19040-50-7,31227-66-4,19040-50-7
• Molecular Formula: C18H39O7P
• Molecular Weight: 398.477
• Hs Code.: 29199000
• European Community (EC) Number: 201-122-9
• NSC Number: 62228,4839
• UNII: RYA6940G86
• DSSTox Substance ID: DTXSID5021758
• Nikkaji Number: J2.828B
• Wikidata: Q27116378
• ChEMBL ID: CHEMBL1534811
• Mol file: 78-51-3.mol

Synonyms:tributoxyethyl phosphate;tris(2-butoxyethyl) phosphate

Chemical Property of Tris(2-butoxyethyl) phosphate

Chemical Property:

• Appearance/Colour: viscous colourless or slightly yellow liquid
• Vapor Pressure: 0.03 mm Hg ( 150 °C)
• Melting Point: -70 ºC
• Refractive Index: n20/D 1.438(lit.)
• Boiling Point: 413.9 ºC at 760 mmHg
• Flash Point: 241.5 ºC
• PSA: 82.26000
• Density: 1.027 g/cm³
• LogP: 4.59440
• Water Solubility.: Soluble
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 21
• Exact Mass: 398.24334058
• Heavy Atom Count: 26
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Tris(2-butyloxyethyl)phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
• Uses: Tris(2-butoxyethyl) phosphate may be used as an analytical reference standard for the quantification of the analyte in herring gull eggs, house dust, and urine samples using liquid chromatography technique. Primary plasticizer for most resins and elastomers, floor finishes and waxes, flame-retarding agent.

Technology Process of Tris(2-butoxyethyl) phosphate

There total 1 articles about Tris(2-butoxyethyl) 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: 98.0%

2-Butoxyethanol (111-76-2,9004-77-7) → tris(2-butoxyethyl) phosphate (78-51-3)

Guidance literature:

With magnesium chloride; trichlorophosphate; at 50 - 80 ℃; for 5h; Reagent/catalyst; Temperature; Large scale;

Reference yield: 92.0%

N-phenyl benzoyl amide (93-98-1,5705-51-1) + tris(2-butoxyethyl) phosphate (78-51-3) → N-(2-butoxyethyl)-N-phenylbenzamide

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at 0 - 75 ℃; for 24h; regioselective reaction;

DOI:10.1055/a-1504-8366

Reference yield: 78.0%

tris(2-butoxyethyl) phosphate (78-51-3) + benzylmagnesium chloride (6921-34-2) → butyl phenylpropyl ether (76382-80-4)

Guidance literature:

In neat (no solvent); at 120 ℃; for 6h;

DOI:10.1055/a-1504-8366

upstream raw materials:

2-Butoxyethanol

Downstream raw materials:

butyl phenylpropyl ether

Refernces