2-Ethylhexyl dihydrogen phosphate

Base Information

• Chemical Name: 2-Ethylhexyl dihydrogen phosphate
• CAS No.: 1070-03-7
• Deprecated CAS: 163447-53-8
• Molecular Formula: C8H19O4P
• Molecular Weight: 210.21
• Hs Code.: 2919900090
• European Community (EC) Number: 235-741-0,213-967-0
• NSC Number: 62313,41916
• UNII: 8939S90183
• DSSTox Substance ID: DTXSID8035184
• Nikkaji Number: J64.763B
• Wikidata: Q27269987
• ChEMBL ID: CHEMBL3182035
• Mol file: 1070-03-7.mol

Synonyms:2-ETHYLHEXYL DIHYDROGEN PHOSPHATE;1070-03-7;2-Ethylhexyl phosphate;12645-31-7;2-Ethylhexyl acid phosphate;Ethylhexyl acid phosphate;Mono(2-ethylhexyl)phosphate;Mono(2-ethylhexyl) phosphate;Phosphoric acid, mono(2-ethylhexyl) ester;2-ethylhexylphosphate;(2-Ethylhexyl)orthophosphate;(2-ethylhexyl) phosphate;Phosphoric Acid 2-Ethylhexyl Ester;HSDB 2594;EINECS 213-967-0;NSC 41916;NSC 62313;1-Hexanol, 2-ethyl-, dihydrogen phosphate;NSC-41916;NSC-62313;UNII-8939S90183;8939S90183;(2-ethylhexyl)phosphate;2-ethyl hexyl phosphate;DSSTox_CID_7740;2-Ethyl Hexanol Phosphate;2-ethylhexyl phosphoric acid;DSSTox_RID_78553;NCIOpen2_002565;DSSTox_GSID_27740;Phosphoric acid 2-ethylhexyl;SCHEMBL163886;CHEMBL3182035;DTXSID8035184;2-ethylhexyl phosphate, AldrichCPR;[(2-ethylhexyl)oxy]phosphonic acid;NSC41916;NSC62313;mono-(2-ethylhexyl) phosphoric acid;Tox21_202126;MFCD00040424;AKOS028109727;NCGC00249171-01;NCGC00259675-01;Phosphoric acid, mono(2-ethylhexyl)ester;Phosphoric acid,mono(2-ethylhexyl) ester;1-Hexanol, 2-ethyl-, phosphate (6CI);AS-80141;SY299064;(2-ETHYLHEXYL)ORTHOPHOSPHATE [HSDB];CAS-12645-31-7;LS-107863;CS-0339523;FT-0735584;Q27269987;ORTHOPHOSPHORIC ACID 2-ETHYLHEXYL ALCOHOL MONOESTER

Chemical Property of 2-Ethylhexyl dihydrogen phosphate

Chemical Property:

• Vapor Pressure: 6.01E-05mmHg at 25°C
• Boiling Point: 321.8 °C at 760 mmHg
• PKA: 1.93±0.10(Predicted)
• Flash Point: 148.4 °C
• PSA: 76.57000
• Density: 1.127 g/cm³
• LogP: 2.31210
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 210.10209608
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99.9% ^*data from raw suppliers

2-Ethylhexyl phosphate (mixture of esters) for synthesis ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 21-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CCCCC(CC)COP(=O)(O)O

Technology Process of 2-Ethylhexyl dihydrogen phosphate

There total 4 articles about 2-Ethylhexyl dihydrogen 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: 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;

Reference yield:

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

Guidance literature:

With sodium hydroxide; In methanol; water; at 100 ℃; for 2h; Title compound not separated from byproducts.;

DOI:10.1021/ac0517186

Reference yield:

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

Guidance literature:

With phosphorus pentaoxide; microwave irradiation;

DOI:10.1080/10426500490494705

upstream raw materials:

2-Ethylhexyl alcohol

tris(2-ethylhexyl) phosphate

Refernces

• 1、 Elias, Abdelhamid,Didi, M. Amine,Villemin, Didier,Semaoune,Ouattas. "Synthesis of mono-and dialkylphosphates by the reactions of hydroxycompounds with the phosphorus pentaoxide under microwave irradiation". . p. 2599 - 2607. Retrieved 2004.