2-tert-Butylcyclohexyl ethyl carbonate

Base Information

• Chemical Name: 2-tert-Butylcyclohexyl ethyl carbonate
• CAS No.: 67801-64-3
• Deprecated CAS: 413621-38-2
• Molecular Formula: C13H24O3
• Molecular Weight: 228.332
• European Community (EC) Number: 267-184-4
• DSSTox Substance ID: DTXSID6052376
• Nikkaji Number: J317.171J
• Mol file: 67801-64-3.mol

Synonyms:2-tert-Butylcyclohexyl ethyl carbonate;67801-64-3;(2-tert-butylcyclohexyl) ethyl carbonate;2-(tert-Butyl)cyclohexyl ethyl carbonate;EINECS 267-184-4;Ethyl 2-tert-butylcyclohexylcarbonate;Ethyl 2-tert-butylcyclohexyl carbonate;floramat;Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester;SCHEMBL873621;DTXSID6052376;2-(tert-Butyl)cyclohexylethylcarbonate;Carbonic acid 2-tert-butylcyclohexyl ethyl;2 - tert - butylcyclohexyl ethyl carbonate;W-111296

Chemical Property of 2-tert-Butylcyclohexyl ethyl carbonate

Chemical Property:

• Vapor Pressure: 0.000781mmHg at 25°C
• Boiling Point: 306.2°C at 760 mmHg
• Flash Point: 102.5°C
• PSA: 35.53000
• Density: 0.96g/cm³
• LogP: 3.76440
• Water Solubility.: 10.9mg/L at 20℃
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 228.17254462
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)OC1CCCCC1C(C)(C)C

Technology Process of 2-tert-Butylcyclohexyl ethyl carbonate

There total 3 articles about 2-tert-Butylcyclohexyl ethyl 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: 60.5%

tert-butyl alcohol (75-65-0) + Diethyl carbonate (105-58-8,76619-83-5) + phenol (108-95-2,27073-41-2) → carbonic acid 2-tert-butyl-cyclohexyl ester ethyl ester (67801-64-3)

Guidance literature:

tert-butyl alcohol; phenol; With sulfuric acid; In ethanol; at 15 - 120 ℃; Large scale;

With 5%-palladium/activated carbon; hydrogen; at 100 - 110 ℃; under 15001.5 Torr; Large scale;

Diethyl carbonate; With toluene-4-sulfonic acid; at 100 - 120 ℃; Large scale;

Reference yield:

2-tert-butylcyclohexan-1-ol (13491-79-7) + Diethyl carbonate (105-58-8,76619-83-5) → carbonic acid 2-tert-butyl-cyclohexyl ester ethyl ester (67801-64-3)

Guidance literature:

With toluene-4-sulfonic acid; sodium hydroxide; at 100 - 110 ℃;

Reference yield:

phenol (108-95-2,27073-41-2) → carbonic acid 2-tert-butyl-cyclohexyl ester ethyl ester (67801-64-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: / ethanol / 0.5 h / 15 °C

1.2: 15 - 140 °C

2.1: 5%-palladium/activated carbon; hydrogen / 90 - 100 °C / 15001.5 Torr

3.1: sodium hydroxide; toluene-4-sulfonic acid / 100 - 110 °C

With 5%-palladium/activated carbon; hydrogen; toluene-4-sulfonic acid; sodium hydroxide; In ethanol;

upstream raw materials:

tert-butyl alcohol

Diethyl carbonate

phenol

2-tert-butylcyclohexan-1-ol

Refernces

• 1、 -. "Synthesis method of tert-butyl cyclohexyl ethyl carbonate spice". Paragraph 0025; 0039; 0040. . Retrieved 2018/03/26.