Aldicarb oxime

Base Information

• Chemical Name: Aldicarb oxime
• CAS No.: 1646-75-9
• Molecular Formula: C5H11 N O S
• Molecular Weight: 133.214
• Hs Code.: 2930909090
• European Community (EC) Number: 216-709-5
• UNII: 44OY94U09A
• Metabolomics Workbench ID: 61070
• Mol file: 1646-75-9.mol

Synonyms:ALDICARB OXIME;Temik oxime;1646-75-9;2-Methyl-2-(methylthio)propanal oxime;Aldicarb-oxime;2-Methyl-2-(methylthio)propionaldehyde oxime;2-Methyl-2-(methylthio)propionaldoxime;2-(Methylthio)isobutyraldehyde oxime;2-(Methylthio)-2-methylpropionaldehyde oxime;Propanal, 2-methyl-2-(methylthio)-, oxime;CCRIS 660;HSDB 5848;EINECS 216-709-5;Propionaldehyde, 2-methyl-2-(methylthio)-, oxime;2-methyl-2-(methylsulfanyl)propanaldoxime;UNII-44OY94U09A;44OY94U09A;N-[2-Methyl-2-(methylsulfanyl)propylidene]hydroxylamine;Aldicarb-oxime 10 microg/mL in Acetonitrile;N-hydroxy-2-methyl-2-(methylsulfanyl)propan-1-imine;(NE)-N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine;(1E)-2-methyl-2-(methylthio)propanal oxime;DTXSID9024431;CHEBI:60330;ALDICARB OXIME [HSDB];DTXCID504431;SCHEMBL8812395;Tox21_300408;LS-920;2-Methyl-2-(methylthio)propanaloxime;AKOS006274707;NCGC00248021-01;NCGC00254516-01;2-methyl-2-(methylsulfanyl)propanal oxime;CAS-1646-75-9;CS-0242577;EN300-2520741;W-107941;ALDICARB OXIME (SEE ALSO ALDICARB ( CAS 116-06-3 ))

Chemical Property of Aldicarb oxime

Chemical Property:

• Vapor Pressure: 0.076mmHg at 25°C
• Melting Point: 21.1°C
• Refractive Index: 1.5216 (estimate)
• Boiling Point: 210.5°Cat760mmHg
• Flash Point: 81.1°C
• PSA: 57.89000
• Density: 1g/cm³
• LogP: 1.58800
• Storage Temp.: 0-6°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 133.05613515
• Heavy Atom Count: 8
• Complexity: 90.4

Purity/Quality:

99%, ^*data from raw suppliers

TemikOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Oximes
• Canonical SMILES: CC(C)(C=NO)SC
• Isomeric SMILES: CC(C)(/C=N/O)SC
• Uses: Temik Oxime is an intermediate in the synthesis of Aldicarb-d3 Sulfoxide (A514667), which is a labeled Aldicarb Sulfoxide (A514665). Aldicarb Sulfoxide is an analog of Aldicarb (A514650) detected in agricultural products as pesticide residue.

Technology Process of Aldicarb oxime

There total 2 articles about Aldicarb oxime 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:

temik (116-06-3) → carbon dioxide (124-38-9,18923-20-1) + 2-methyl-2-methylsulfanyl-propionaldehyde oxime (1646-75-9) + methylamine (74-89-5)

Guidance literature:

With borate buffer; cetyltrimethylammonim bromide; In water; at 100 ℃; for 0.00833333h; pH=9.0; Further Variations:; Temperatures; Product distribution;

DOI:10.1021/ac990928d

Reference yield:

→ 2-methyl-2-methylsulfanyl-propionaldehyde oxime (1646-75-9)

Guidance literature:

DOI:10.1021/jf60146a007

Reference yield:

2-methyl-2-methylsulfanyl-propionaldehyde oxime (1646-75-9) → temik (116-06-3)

Guidance literature:

Multi-step reaction with 2 steps

1: CHCl₃ / 2 h / Heating

2: CHCl₃ / 1 h / Ambient temperature

In chloroform;

DOI:10.1016/S0040-4039(01)81064-9

upstream raw materials:

temik

Downstream raw materials:

2-methanesulfinyl-2-methyl-propionaldehyde oxime

2-methanesulfonyl-2-methyl-propionaldehyde oxime

temik

Refernces