2-Ethylhexyl diphenyl phosphate

Base Information

• Chemical Name: 2-Ethylhexyl diphenyl phosphate
• CAS No.: 1241-94-7
• Molecular Formula: C20H27O4P
• Molecular Weight: 362.406
• Hs Code.: HOSPHATE PRODUCT IDENTIFICATION
• European Community (EC) Number: 214-987-2
• UN Number: 3082
• UNII: 4F53Z6NE1Y
• DSSTox Substance ID: DTXSID1025300
• Nikkaji Number: J7.469A
• Wikipedia: 2-Ethylhexyl_diphenyl_phosphate
• Wikidata: Q27259513
• NCI Thesaurus Code: C84026
• ChEMBL ID: CHEMBL2105213
• Mol file: 1241-94-7.mol

Synonyms:2-ethylhexyldiphenylphosphate;di(2-ethylhexyl)phenylphosphate

Chemical Property of 2-Ethylhexyl diphenyl phosphate

Chemical Property:

• Appearance/Colour: Pale yellow liquid
• Vapor Pressure: 6.49E-07mmHg at 25°C
• Melting Point: -54 °C
• Refractive Index: 1.508 - 1.511
• Boiling Point: 421.2 °C at 760 mmHg
• Flash Point: 222 °C
• PSA: 54.57000
• Density: 1.103 g/cm³
• LogP: 6.48550
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Insoluble
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 362.16469634
• Heavy Atom Count: 25
• Complexity: 365
• Transport DOT Label: Class 9

Purity/Quality:

99.9% ^*data from raw suppliers

2-EthylhexylDiphenylPhosphate(90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
• Uses: Pharmaceuticaid (plasticizer). 2-Ethylhexyl Diphenyl Phosphate can be used as a flame retardant, an additive or a plasticizer for resins. It is considered as an emerging contaminant.

Technology Process of 2-Ethylhexyl diphenyl phosphate

There total 3 articles about 2-Ethylhexyl diphenyl 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:

2-Ethylhexyl alcohol (104-76-7) + phosphoric acid triphenyl ester (115-86-6) + O-phenyl phosphorodichloridate (770-12-7) + chlorophosphoric acid diphenyl ester (2524-64-3) → diphenyl hydrogen phosphate (838-85-7) + 3-(chloromethyl)heptane (123-04-6) + di-(2-ethylhexyl)phenyl phosphate (16368-97-1) + santicizer 141 (1241-94-7)

Guidance literature:

magnesium chloride; at 120 ℃; for 5.5 - 7h; under 50 - 150 Torr; Product distribution / selectivity;

Reference yield:

→ santicizer 141 (1241-94-7)

Guidance literature:

DOI:10.1021/ie50529a062

Reference yield:

→ santicizer 141 (1241-94-7)

Guidance literature:

POCl3 1. 2-Ethylhexanol, 50grad 2. NaOPh, m-Xylol;

upstream raw materials:

2-Ethylhexyl alcohol

phosphoric acid triphenyl ester

O-phenyl phosphorodichloridate

chlorophosphoric acid diphenyl ester

Refernces