Octyl dihydrogen phosphate

Base Information

• Chemical Name: Octyl dihydrogen phosphate
• CAS No.: 3991-73-9
• Molecular Formula: C8H19 O4 P
• Molecular Weight: 210.21
• European Community (EC) Number: 254-445-2,223-638-3
• UN Number: 1760
• UNII: D076LJ1H9L
• DSSTox Substance ID: DTXSID4058605
• Nikkaji Number: J217.817F
• Wikidata: Q27275932
• Mol file: 3991-73-9.mol

Synonyms:Octyl dihydrogen phosphate;3991-73-9;MONOOCTYL PHOSPHATE;Octylphosphate;Phosphoric acid, monooctyl ester;Monooctylphosphoric acid;HSDB 2610;EINECS 223-638-3;BRN 1707496;UNII-D076LJ1H9L;AI3-15053;D076LJ1H9L;39407-03-9;octanol-phosphate;Mono-octyl phosphate;Octyldihydrogenphosphate;(octyloxy)phosphonic acid;JAMP 8;SCHEMBL118839;DTXSID4058605;MONOOCTYL PHOSPHATE [HSDB];MFCD00235968;AKOS005145522;SY244774;LS-107868;OCTYL PHOSPHATE ((C8H17O)(HO)2PO);N11880;Q27275932

Chemical Property of Octyl dihydrogen phosphate

Chemical Property:

• Boiling Point: 328.4°Cat760mmHg
• PKA: 1.96±0.10(Predicted)
• Flash Point: 152.4°C
• PSA: 76.57000
• Density: 1.129g/cm³
• LogP: 2.45620
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 210.10209608
• Heavy Atom Count: 13
• Complexity: 154
• Transport DOT Label: Corrosive

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CCCCCCCCOP(=O)(O)O

Technology Process of Octyl dihydrogen phosphate

There total 11 articles about Octyl 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: 100.0%

octyl phosphorodichloridate (53121-41-8) → monooctylphosphoric acid (3991-73-9)

Guidance literature:

With silver nitrate; In acetonitrile; at 0 - 5 ℃; for 1h;

Reference yield: 96.0%

dibenzyl octyl phosphate (362621-86-1) → monooctylphosphoric acid (3991-73-9)

Guidance literature:

With 10% Pd on charcoal; hydrogen; In methanol; at 20 ℃; for 0.5h; under 760.051 Torr;

DOI:10.1021/ol8014418

Reference yield: 70.0%

dimethylsulfide (75-18-3) + n-octyl dimethyl phosphate (87285-95-8) → monooctylphosphoric acid (3991-73-9) + S,S,S-trimethylsulfonium methanesulfonate (15057-22-4) + Phosphoric acid methyl ester octyl ester (137301-41-8)

Guidance literature:

With methanesulfonic acid; 1) 0 deg C, 2 min, 2) r.t., 24 h;

upstream raw materials:

octanol

dimethylsulfide

n-octyl dimethyl phosphate

Hexamethyldisiloxane

Downstream raw materials:

Octyl dihydrogen phosphate aniline salt

Refernces

• 1、 -. "GELLED HYDROCARBONS FOR OILFIELD PROCESSES, PHOSPHATE ESTER COMPOUNDS USEFUL IN GELLATION OF HYDROCARBONS AND METHODS FOR PRODUCTION AND USE THEREOF". . . Retrieved 2011/04/14.
• 2、 Chen, Kuan-Hung,Yang, Jye-Shane,Hwang, Chung-Yu,Fang, Jim-Min. "Phospholipid-induced aggregation and anthracene excimer formation". supporting information; experimental part. p. 4401 - 4404. Retrieved 2009/05/27.