3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylpropanoate

Base Information

• Chemical Name: 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylpropanoate
• CAS No.: 58327-15-4
• Molecular Formula: C19H27ClO3
• Molecular Weight: 338.8689
• DSSTox Substance ID: DTXSID60973887

Synonyms:3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylpropanoate;2-(4-Chlorophenoxy)-2-methylpropanoic acid 3,3,5-trimethylcyclohexyl ester;Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3,3,5-trimethylcyclohexyl ester;58327-15-4;C19H27ClO3;DTXSID60973887;LS-121294

Chemical Property of 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylpropanoate

Chemical Property:

• Vapor Pressure: 1.1E-06mmHg at 25°C
• Boiling Point: 402.4°Cat760mmHg
• Flash Point: 131.9°C
• Density: 1.1g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 338.1648724
• Heavy Atom Count: 23
• Complexity: 411

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CC(C1)(C)C)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl

Technology Process of 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylpropanoate

There total 4 articles about 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylpropanoate 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:

Clofibric acid (882-09-7) + 3,3,5-trimethylcyclohexanol (116-02-9) → 2-(4-Chloro-phenoxy)-2-methyl-propionic acid 3,3,5-trimethyl-cyclohexyl ester (58327-15-4)

Guidance literature:

Reference yield:

Clofibric acid (882-09-7) + trans-3,3,5-trimethylcyclohexanol (767-54-4) → 2-(4-Chloro-phenoxy)-2-methyl-propionic acid (1R,5S)-3,3,5-trimethyl-cyclohexyl ester (30573-16-1,30573-17-2,58327-15-4)

Guidance literature:

Reference yield:

→ p-Chlorphenoxyisobuttersaeure-cis-3,3,5-trimethylcyclohexylester (30573-16-1,30573-17-2,58327-15-4)

Guidance literature:

p-Chlorphenoxyisobuttersaeurechlorid, cis-3,3,5-Trimethylcyclohexanol;

upstream raw materials:

Clofibric acid

3,3,5-trimethylcyclohexanol

trans-3,3,5-trimethylcyclohexanol

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