Dodecyl dihydrogen phosphate

Base Information

• Chemical Name: Dodecyl dihydrogen phosphate
• CAS No.: 2627-35-2
• Molecular Formula: C12H27 O4 P
• Molecular Weight: 266.318
• Hs Code.: 2919900090
• European Community (EC) Number: 220-095-4
• NSC Number: 41919
• UNII: 0K08L8GE2H
• DSSTox Substance ID: DTXSID70880492
• Nikkaji Number: J192.141J
• Wikidata: Q27890227
• ChEMBL ID: CHEMBL187711
• Mol file: 2627-35-2.mol

Synonyms:Dodecyl dihydrogen phosphate;2627-35-2;dodecyl phosphate;Mono-n-Dodecyl Phosphate;dodecylphosphate;Monolauryl phosphate;Lauryl phosphate;Monododecyl phosphate;Dihydrogen monolauryl phosphate;Phosphoric acid, monododecyl ester;Lauryl dihydrogen phosphate;12751-23-4;Phosphoric acid monododecyl ester;UNII-0K08L8GE2H;0K08L8GE2H;CHEMBL187711;EINECS 220-095-4;MFCD00013946;NSC 41919;NSC-41919;C12H26O.xH3O4P;C12-H26-O.x-H3-O4-P;lauryl monophosphate;n-dodecyl phosphate;Momo-dodecyl phosphate;dodecyl phosphoric acid;monolaurylphosphoric acid;ROMOL MAP H;monolauryl phosphoric acid;DODECANYL PHOSPHATE;NIKKOL PHOSTEN HLP;(dodecyloxy)phosphonic acid;D0XJ9P;PHOSPHANOL ML-200;ETHFAC 102;SCHEMBL65138;CBDivE_002844;DODECYL ACID PHOSPHATE;Dodecyl dihydrogen phosphate #;LAURYL PHOSPHATE [INCI];DTXSID70880492;NSC41919;BDBM50170854;mono-N-Dodecyl phosphate, AldrichCPR;AKOS017343264;SY291317;HY-125802;CS-0099398;FT-0625574;F87061;J-016361;mono-Dodecyl phosphate;Q27890227

Chemical Property of Dodecyl dihydrogen phosphate

Chemical Property:

• Melting Point: 39-45°C
• Boiling Point: 385.5°Cat760mmHg
• PKA: 1.95±0.10(Predicted)
• Flash Point: 187°C
• PSA: 76.57000
• Density: 1.056g/cm³
• LogP: 4.01660
• Water Solubility.: Insoluble in water.
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 266.16469634
• Heavy Atom Count: 17
• Complexity: 203

Purity/Quality:

98%, ^*data from raw suppliers

MONO-N-DODECYL PHOSPHATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: Xi
• Statements: 36/37/38-43-41-37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CCCCCCCCCCCCOP(=O)(O)O
• Uses: mono-n-Dodecyl phosphate is a lysophosphatidic acid (LPA) receptor ligand which serves as a specific agonist at EDG-4 (LPA2) (EC50=700 nM) and antagonist at EDG-7

Technology Process of Dodecyl dihydrogen phosphate

There total 11 articles about Dodecyl 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: 95.0%

dibenzyl dodecyl phosphate (362621-87-2) → Phosphoric acid monododecyl ester (2627-35-2)

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: 88.5%

1-dodecyl alcohol (112-53-8) + phosphoric acid (86119-84-8,7664-38-2) → Phosphoric acid monododecyl ester (2627-35-2)

Guidance literature:

With [ε-PMo(V)8Mo(VI)4O37(OH)3Zn4]2[2-(2-pyridyl)-imidazole]6·4H2O; In water; toluene; at 110 ℃; for 24h; Catalytic behavior; Reflux;

DOI:10.1039/c4dt02993c

Reference yield:

1-dodecyl alcohol (112-53-8) → Phosphoric acid monododecyl ester (2627-35-2) + didodecyl phosphate (7057-92-3)

Guidance literature:

With phosphoric acid; 2BO₄₀W₁₂^(5-)*18H₂O*5C₁₁H₁₅N₇O₂*5Co⁽²⁺⁾; at 100 ℃; for 12h; Time; Reagent/catalyst; Concentration; Temperature; Overall yield = 90.86 %; Catalytic behavior;

DOI:10.1039/c6dt00138f

upstream raw materials:

phosphoric acid dodecyl ester-diphenyl ester

Hexamethyldisiloxane

1-dodecyl alcohol

dibenzyl dodecyl phosphate

Downstream raw materials:

sodium dodecyl phosphate

dodecyl benzyl phosphate

Refernces

• 1、 Nakagaki,Handa. "Hydrolysis reaction of disodium monolauryl phosphate". . p. 611 - 615. Retrieved 1972.
• 2、 Miao, Hao,Xu, Xiao,Ju, Wei-Wei,Wan, Hong-Xiang,Zhang, Yu,Zhu, Dun-Ru,Xu, Yan. "A novel dumbbell-like polyoxometalate assembled of copper(II)-disubstituted monovacant Keggin polyoxoanions with a tetranuclear copper cluster". . p. 2757 - 2759. Retrieved 2014.
• 3、 -. "PHOSPHORUS-BASED RELEASING AGENT, OPTICAL POLYMERIZABLE COMPOSITION COMPRISING SAME AND PREPARATION THEREOF". Paragraph 0066; 0072. . Retrieved 2019/09/06.
• 4、 Hu, Gonghao,Miao, Hao,Mei, Hua,Zhou, Shuai,Xu, Yan. "Two novel bi-functional hybrid materials constructed from POMs and a Schiff base with excellent third-order NLO and catalytic properties". supporting information. p. 7947 - 7951. Retrieved 2016/06/01.