2-Chloroethyl hexyl carbonate

Base Information

• Chemical Name: 2-Chloroethyl hexyl carbonate
• CAS No.: 83498-71-9
• Molecular Formula: C9H17ClO3
• Molecular Weight: 208.685
• DSSTox Substance ID: DTXSID40509481
• Wikidata: Q82367085
• Mol file: 83498-71-9.mol

Synonyms:2-CHLOROETHYL HEXYL CARBONATE;83498-71-9;SCHEMBL8816802;DTXSID40509481

Chemical Property of 2-Chloroethyl hexyl carbonate

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 208.0866221
• Heavy Atom Count: 13
• Complexity: 128

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)OCCCl

Technology Process of 2-Chloroethyl hexyl carbonate

There total 2 articles about 2-Chloroethyl hexyl carbonate 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: 50.0%

tetrachloromethane (56-23-5) + 2-(hexyloxy)-1,3-dioxolane (83498-70-8) → [1,3]-dioxolan-2-one (96-49-1) + hexane (110-54-3) + 1-Chlorohexane (544-10-5) + 2-chloroethyl formate (1487-43-0) + 1-(ethoxycarbonyloxy)hexane (87494-31-3) + hexyl 2-chloroethyl carbonate (83498-71-9)

Guidance literature:

dibenzoyl peroxide; at 90 ℃; Rate constant; Product distribution;

Reference yield:

chloroform (67-66-3,8013-54-5) + 2-(hexyloxy)-1,3-dioxolane (83498-70-8) → [1,3]-dioxolan-2-one (96-49-1) + dichloromethane (75-09-2) + 2-chloroethyl formate (1487-43-0) + 1-(ethoxycarbonyloxy)hexane (87494-31-3) + hexyl 2-chloroethyl carbonate (83498-71-9) + hexanal (66-25-1)

Guidance literature:

With di-tert-butyl peroxide; at 130 ℃; for 1h; Product distribution;

upstream raw materials:

tetrachloromethane

2-(hexyloxy)-1,3-dioxolane

chloroform

Refernces

• 1、 Rol'nik, L. Z.,Kalashnikov, S. M.,Pastushenko, E. V.,Zlot-skii, S. S.,Rakhmankulov, D. L.. "FREE-RADICAL TRANSFORMATIONS OF 2-ALKOXY-1,3-DIOXOLANES IN POLYHALOGENOALKANES". . p. 1296 - 1299. Retrieved 2007/10/02.