Dioctyl phosphate

Base Information

• Chemical Name: Dioctyl phosphate
• CAS No.: 3115-39-7
• Molecular Formula: C16H35 O4 P
• Molecular Weight: 322.425
• Hs Code.: 2919900090
• European Community (EC) Number: 221-485-7
• NSC Number: 70167
• DSSTox Substance ID: DTXSID9058606,DTXSID901022614
• Nikkaji Number: J217.278J
• Wikidata: Q27459664
• Mol file: 3115-39-7.mol

Synonyms:dioctyl phosphate;dioctyl phosphate, potassium salt;dioctyl phosphate, sodium salt

Chemical Property of Dioctyl phosphate

Chemical Property:

• Melting Point: 29-30 °C
• Boiling Point: 402°Cat760mmHg
• PKA: 1.51±0.50(Predicted)
• Flash Point: 196.9°C
• PSA: 65.57000
• Density: 0.985g/cm³
• LogP: 5.84100
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 322.22729659
• Heavy Atom Count: 21
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

PhosphoricAcidDioctylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CCCCCCCCOP(=O)(O)OCCCCCCCC
• Uses: Phosphoric acid dioctyl ester is used in conjunction with polyaniline as an active pigment in various resins and also protects iron from corrosion. Phosphoric acid dioctyl ester is also used in multichannel taste sensors, devices that transform information about taste into electrical signals and subsequently analyzed by a computer.

Technology Process of Dioctyl phosphate

There total 12 articles about Dioctyl 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: 31.0%

→ phosphoric acid dioctyl ester (3115-39-7)

Guidance literature:

Reference yield:

ethyl octyl phosphite (21302-12-5) + di(n-octyl)phosphite (1809-14-9) + phosphonic acid diethyl ester (762-04-9) → Diethyl phosphate (598-02-7) + phosphoric acid ethyl ester-octyl ester (45163-08-4) + phosphoric acid dioctyl ester (3115-39-7)

Guidance literature:

ethyl octyl phosphite; di(n-octyl)phosphite; phosphonic acid diethyl ester; With sodium hypochlorite; sodium hydroxide; at 30 ℃; pH=10 - 11.5;

With hydrogenchloride; In water; pH=2;

pH=2;

Reference yield:

octanol (111-87-5) → monooctylphosphoric acid (3991-73-9) + phosphoric acid dioctyl ester (3115-39-7)

Guidance literature:

With phosphorus pentoxide; water; at 40 ℃; for 4h; Reagent/catalyst;

upstream raw materials:

di-n-octylphenyl phosphate

phosphorochloridic acid dioctyl ester

di-n-octyl phosphite

octanol

Refernces

• 1、 Aitken, R. Alan,Collett, Chris J.,Mesher, Shaun T. E.. "Convenient preparation of long-chain dialkyl phosphates: Synthesis of dialkyl phosphates". experimental part. p. 2515 - 2518. Retrieved 2012/09/05.
• 2、 Rempel, Brian P.,Tropak, Michael B.,Mahuran, Don J.,Withers, Stephen G.. "Tailoring the specificity and reactivity of a mechanism-based inactivator of glucocerebrosidase for potential therapeutic applications". supporting information; experimental part. p. 10381 - 10383. Retrieved 2011/12/04.