Isomalathion

Base Information

• Chemical Name: Isomalathion
• CAS No.: 3344-12-5
• Molecular Formula: C10H19 O6 P S2
• Molecular Weight: 330.363
• Hs Code.: 2930904397
• UNII: 9XEP5P83AO
• DSSTox Substance ID: DTXSID9058363
• Nikkaji Number: J54.348I
• Wikipedia: Isomalathion
• Wikidata: Q10859785
• Mol file: 3344-12-5.mol

Synonyms:isomalathion;S-(1,2-dicarbethoxyethyl)-O,S-dimethyl phosphorodithioate

Chemical Property of Isomalathion

Chemical Property:

• Vapor Pressure: 4.74E-07mmHg at 25°C
• Boiling Point: 413.6°Cat760mmHg
• Flash Point: 203.9°C
• PSA: 139.31000
• Density: 1.273g/cm³
• LogP: 2.72200
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 330.03606767
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

99%, ^*data from raw suppliers

Isomalathion ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-50/53-43
• Safety Statements: 24-60-61-46-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)SC

Technology Process of Isomalathion

There total 3 articles about Isomalathion 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:

[(dimethoxyphosphinothioyl)thio]-butanedioic acid, diethyl ester (121-75-5) → malathion alpha-dicarboxylic acid (1190-28-9) + (E)-4-ethoxy-4-oxobut-2-enoic acid (2459-05-4) + S-(1,2-dicarboethoxyethyl)O,S-dimethyl phosphorodithioate (3344-12-5) + malathion monocarboxylic acid (1190-29-0) + oxallic acid isobutyle nonyl ester + Diethyl maleate (141-05-9)

Guidance literature:

With carboxylesterase from Escherichia coli IES-02; In aq. phosphate buffer; at 37 ℃; for 1h; pH=7.5; Catalytic behavior; Enzymatic reaction;

DOI:10.1016/j.ijbiomac.2019.12.192

Reference yield:

[(dimethoxyphosphinothioyl)thio]-butanedioic acid, diethyl ester (121-75-5) → S-(1,2-dicarboethoxyethyl)O,S-dimethyl phosphorodithioate (3344-12-5)

Guidance literature:

at 150 ℃;

Reference yield:

→ S-(1,2-dicarboethoxyethyl)O,S-dimethyl phosphorodithioate (3344-12-5)

Guidance literature:

Aus O,O-Dimethylphosphorodithioat v. Diethylmercaptosuccinat;

upstream raw materials:

[(dimethoxyphosphinothioyl)thio]-butanedioic acid, diethyl ester

Refernces

• 1、 Ansari, Asma,Iqbal, Sajid,Khan, Moazzam Ali,Qader, Shah Ali Ul,Sattar, Hafsa,Sirajuddin, Sadia. "A comparative study on degradation of complex malathion organophosphate using of Escherichia coli IES-02 and a novel carboxylesterase". . p. 445 - 455. Retrieved 2020/01/08.