Sebacil

Base Information

• Chemical Name: Sebacil
• CAS No.: 96-01-5
• Molecular Formula: C10H16 O2
• Molecular Weight: 168.236
• Hs Code.: 2914299000
• NSC Number: 90292
• UNII: 61P59MCH0P
• DSSTox Substance ID: DTXSID00242064
• Nikkaji Number: J4.717A
• Wikidata: Q27263367
• Mol file: 96-01-5.mol

Synonyms:Bay 77488;Baythion;phenylglyoxylonitrile oxime O,O-diethylphosphorothioate;phoxim;Sebacil;Sebacil Pour-on;Valekson;Valexon

Chemical Property of Sebacil

Chemical Property:

• Vapor Pressure: 0.00572mmHg at 25°C
• Melting Point: 40-41°
• Refractive Index: 1.4578 (estimate)
• Boiling Point: 273.5°Cat760mmHg
• Flash Point: 106.2°C
• PSA: 34.14000
• Density: 0.987g/cm³
• LogP: 2.25900
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

1,2-CYCLODECANEDIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCC(=O)C(=O)CCC1

Technology Process of Sebacil

There total 16 articles about Sebacil 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: 65.0%

C16H34O2Si2 (6838-68-2) → cyclodecane-1,2-dione (96-01-5)

Guidance literature:

With water; bromine; In tetrahydrofuran; at 20 ℃;

Reference yield: 50.0%

2-(methylthio)cyclodecanone (100703-65-9) → cyclodecane-1,2-dione (96-01-5) + (E)-2-Methylsulfanyl-cyclodec-2-enone (100703-67-1)

Guidance literature:

With copper(II) oxide; copper dichloride; In water; acetone; at 25 ℃; for 0.25h;

DOI:10.1021/jo00359a008

Reference yield: 50.0%

2-(methylthio)cyclodecanone (100703-65-9) → cyclodecane-1,2-dione (96-01-5) + C11H18O2S

Guidance literature:

With CuCl₂-CuO; In water; acetone; at 25 ℃; for 0.25h;

DOI:10.1016/S0040-4039(00)98629-5

upstream raw materials:

2-hydroxycyclodecanone

2-(methylthio)cyclododecanone

2-(methylthio)cyclodecanone

2-(methylthio)cycloundecanone

Downstream raw materials:

3,10-dibenzylidene-cyclodecane-1,2-dione

3,10-bis-(α-piperidino-benzyl)-cyclodecane-1,2-dione

3,10-bis-(4-methyl-benzylidene)-cyclodecane-1,2-dione

3-benzylidene-cyclodecane-1,2-dione

Refernces

• 1、 Liu, Peng,Zhang, Yu-Mei,Zhang, Hong-Li. "Study on the synthesis of 1,2-diketones". experimental part. p. 266 - 267. Retrieved 2010/10/01.
• 2、 Rüedi, Georg,Oberli, Matthias A.,Nagel, Matthias,Weymuth, Christophe,Hansen, Hans-Jürgen. "A practical and user-friendly method for the selenium-free one-step preparation of 1,2-diketones and their monoxime analogs". . p. 2315 - 2318. Retrieved 2007/10/03.