Malathion diacid

Base Information

• Chemical Name: Malathion diacid
• CAS No.: 1190-28-9
• Molecular Formula: C6H11 O6 P S2
• Molecular Weight: 274.255
• Hs Code.: 2931900090
• UNII: M523N0T44K
• DSSTox Substance ID: DTXSID7052739
• Nikkaji Number: J545.236H
• Wikidata: Q27283497
• Mol file: 1190-28-9.mol

Synonyms:Malathion diacid;1190-28-9;MALATHION DICARBOXYLIC ACID;MALATHIONDICARBOXYLICACID;2-dimethoxyphosphinothioylsulfanylbutanedioic acid;UNII-M523N0T44K;M523N0T44K;Butanedioic acid, ((dimethoxyphosphinothioyl)thio)-;AI3-10627;2-[(Dimethoxyphosphorothioyl)sulfanyl]succinic Acid;Malathiondicarboxylic Acid;2-((DIMETHOXYPHOSPHOROTHIOYL)SULFANYL)SUCCINIC ACID;C6H11O6PS2;SCHEMBL2180257;DTXSID7052739;O,O-Dimethyl S-(1,2-dicarboxyethyl) Phosphorodithioate;CHEBI:189747;C6-H11-O6-P-S2;2-dimethoxyphosphinothioylsulanylbutanedioic acid;Malathion diacid, PESTANAL(R), analytical standard;Q27283497;BUTANEDIOIC ACID, 2-((DIMETHOXYPHOSPHINOTHIOYL)THIO)-

Chemical Property of Malathion diacid

Chemical Property:

• Vapor Pressure: 4.06E-06mmHg at 25°C
• Boiling Point: 358.7°Cat760mmHg
• Flash Point: 170.8°C
• PSA: 160.26000
• Density: 1.559g/cm³
• LogP: 1.81540
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 273.97346741
• Heavy Atom Count: 15
• Complexity: 285

Purity/Quality:

98%,99%, ^*data from raw suppliers

MALATHIONDICARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=S)(OC)SC(CC(=O)O)C(=O)O
• Uses: A biodegradation product of Malathion (M111000). Malathion Diacid is an Insecticide degradate in baby foods. An insecticide/pesticide metabolite.

Technology Process of Malathion diacid

There total 2 articles about Malathion diacid 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) → malathion alpha-dicarboxylic acid (1190-28-9) + ethanol (64-17-5)

Guidance literature:

With sodium phosphate buffer; Klebsiella sp. ZD₁₁₂ pyrethroid-hydrolyzing esterase; In acetonitrile; at 30 ℃; pH=7.0; Enzyme kinetics;

DOI:10.1021/jf052691u

upstream raw materials:

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

Refernces

• 1、 Wu, Pei C.,Liu, Yu H.,Wang, Zhuo Y.,Zhang, Xiao Y.,Li, He,Liang, Wei Q.,Luo, Na,Hu, Ji M.,Lu, Jia Q.,Luan, Tian G.,Cao, Li X.. "Molecular cloning, purification, and biochemical characterization of a novel pyrethroid-hydrolyzing esterase from Klebsiella sp. strain ZD112". . p. 836 - 842. Retrieved 2007/10/03.