Phosphorodithioic acid, O,O-bis(1-methylpropyl) ester

Base Information

• Chemical Name: Phosphorodithioic acid, O,O-bis(1-methylpropyl) ester
• CAS No.: 107-55-1
• Molecular Formula: C8H19 O2 P S2
• Molecular Weight: 242.343
• Hs Code.: 2931900090
• European Community (EC) Number: 203-501-4,236-151-6
• UNII: 2YC5H316AI
• DSSTox Substance ID: DTXSID50883300
• Nikkaji Number: J182.221G
• Wikidata: Q27896621
• Mol file: 107-55-1.mol

Synonyms:107-55-1;Phosphorodithioic acid, O,O-bis(1-methylpropyl) ester;disecbutyl dithiophosphate;O,O-Di-sec-butyl hydrogen dithiophosphate;UNII-681H3G290Q;EINECS 203-501-4;EINECS 236-151-6;Di(butan-2-yloxy)-sulfanyl-sulfanylidene-lambda5-phosphane;Zinc bis(O,O-di-sec-butyl) bis(dithiophosphate);681H3G290Q;C8-H19-O2-P-S2.1/2Zn;13192-40-0;Di(butan-2-yloxy)-sulfanyl-sulfanylidenephosphorane;2YC5H316AI;CMS-41;SCHEMBL3872317;DTXSID50883300;O,O-di-sec-butylhydrogendithiophosphat;NSC 207833;Dithiophosphoric acid O,O-di-sec-butyl ester;PHOSPHORODITHIOIC ACID O,O'-DI-SEC-BUTYL ESTER;Q27896621

Chemical Property of Phosphorodithioic acid, O,O-bis(1-methylpropyl) ester

Chemical Property:

• Vapor Pressure: 0.00314mmHg at 25°C
• Boiling Point: 292.8°Cat760mmHg
• Flash Point: 130.9°C
• PSA: 99.16000
• Density: 1.1g/cm³
• LogP: 4.42150
• Water Solubility.: 99mg/L at 25℃
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 242.05640919
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)OP(=S)(OC(C)CC)S

Technology Process of Phosphorodithioic acid, O,O-bis(1-methylpropyl) ester

There total 2 articles about Phosphorodithioic acid, O,O-bis(1-methylpropyl) 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:

iso-butanol (78-92-2,15892-23-6) → O,O-bis(sec-butyl) hydrogen dithiophosphate (107-55-1)

Guidance literature:

With phosphorous (V) sulfide;

Reference yield:

→ O,O-bis(sec-butyl) hydrogen dithiophosphate (107-55-1)

Guidance literature:

sec.-Butanol, P2S5;

Reference yield:

O,O-bis(sec-butyl) hydrogen dithiophosphate (107-55-1) → 1-methyl-1-propanethiol (513-53-1,91840-99-2)

Guidance literature:

at 150 ℃;

upstream raw materials:

iso-butanol

Downstream raw materials:

1-methyl-1-propanethiol

Refernces

• 1、 Nizamov, Ilyas S.,Belov, Timur G.,Nizamov, Ilnar D.,Nikitin, Yevgeniy N.,Akhmedova, Gulnaz R.,Shilnikova, Olga V.,Timushev, Ildus D.,Salikhov, Ramazan Z.,Shulaeva, Marina P.,Pozdeev, Oscar K.,Batyeva, Elvira S.,Cherkasov, Rafael A.. "Pyridoxonium salts of chiral and cyclic dithiophosphoric and bisdithiophosphonic acids and their antimicrobial activities". . p. 431 - 438. Retrieved 2020.
• 2、 Dimmig, Th.,Wittg-Koehler, S.,Radig, W.,Hartmann, J.,Petri, Th.. "Spectroscopic Investigations on the Acidity of O,O'-Dithiophosphoric Acid Esters in Nonpolar Aprotic Solvents". . p. 245 - 249. Retrieved 2007/10/02.