Phosphorodithioic acid, O,O-dioctyl ester

Base Information

• Chemical Name: Phosphorodithioic acid, O,O-dioctyl ester
• CAS No.: 2253-57-8
• Deprecated CAS: 130970-01-3,1824043-77-7
• Molecular Formula: C16H35 O2 P S2
• Molecular Weight: 354.558
• Hs Code.: 2931900090
• European Community (EC) Number: 218-850-8
• DSSTox Substance ID: DTXSID20863997
• Nikkaji Number: J213.149H
• Wikidata: Q81986351
• Mol file: 2253-57-8.mol

Synonyms:Phosphorodithioic acid, O,O-dioctyl ester;2253-57-8;O,O-Dioctyl hydrogen dithiophosphate;EINECS 218-850-8;dioctyldithiophosphoric acid;SCHEMBL649061;DTXSID20863997;Dithiophosphoric acid O,O-dioctyl ester

Chemical Property of Phosphorodithioic acid, O,O-dioctyl ester

Chemical Property:

• Vapor Pressure: 4.9E-07mmHg at 25°C
• Boiling Point: 425°Cat760mmHg
• Flash Point: 210.8°C
• PSA: 55.76000
• Density: 1.008g/cm³
• LogP: 8.59790
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 354.18160970
• Heavy Atom Count: 21
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOP(=S)(OCCCCCCCC)S

Technology Process of Phosphorodithioic acid, O,O-dioctyl ester

There total 2 articles about Phosphorodithioic acid, O,O-dioctyl ester 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: 97.7%

→ di-n-octyl dithiophosphate (2253-57-8)

Guidance literature:

Reference yield: 93.7%

octanol (111-87-5) → di-n-octyl dithiophosphate (2253-57-8)

Guidance literature:

With tetraphosphorus decasulfide; for 0.05h; microwave irradiation;

DOI:10.1080/10426500214305

Reference yield: 92.0%

diphenylguanidine (102-06-7) + di-n-octyl dithiophosphate (2253-57-8) → Dithiophosphoric acid O,O'-dioctyl ester; compound with N,N'-diphenyl-guanidine (56867-55-1)

Guidance literature:

In chloroform; for 0.25h; Ambient temperature;

upstream raw materials:

octanol

Downstream raw materials:

Dithiophosphoric acid O,O'-dioctyl ester; compound with N,N'-diphenyl-guanidine

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