Cyclohexyl octanoate

Base Information

• Chemical Name: Cyclohexyl octanoate
• CAS No.: 1551-42-4
• Molecular Formula: C14H26O2
• Molecular Weight: 226.359
• NSC Number: 23752
• DSSTox Substance ID: DTXSID00281993
• Wikidata: Q82016142
• Mol file: 1551-42-4.mol

Synonyms:Cyclohexyl octanoate;1551-42-4;Heptyl cyclohexane carboxylic acid;Cyclohexyl octanoate #;octanoic acid cyclohexyl ester;Octanoic acid, cyclohexyl ester;SCHEMBL1065817;DTXSID00281993;CHEBI:180752;TXWXLLMVRVKQSO-UHFFFAOYSA-N;NSC23752;NSC-23752

Chemical Property of Cyclohexyl octanoate

Chemical Property:

• Vapor Pressure: 0.0037mmHg at 25°C
• Boiling Point: 280.8°Cat760mmHg
• Flash Point: 113°C
• Density: 0.92g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 226.193280068
• Heavy Atom Count: 16
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC1CCCCC1

Technology Process of Cyclohexyl octanoate

There total 5 articles about Cyclohexyl octanoate 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: 99.0%

Octanoic acid (124-07-2) + cyclohexanol (108-93-0) → octanoic acid cyclohexyl ester (1551-42-4)

Guidance literature:

With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1081/SCC-120006474

Reference yield: 77.0%

caprylic hydrazide (6304-39-8) + C6H11O(1-)*Cl(1-)*Cu(2+) → Octanoic acid (124-07-2) + octanoic acid cyclohexyl ester (1551-42-4)

Guidance literature:

In tetrahydrofuran; Ambient temperature;

DOI:10.1016/0040-4020(80)85042-3

Reference yield:

n-octanoic acid chloride (111-64-8) + cyclohexanol (108-93-0) → octanoic acid cyclohexyl ester (1551-42-4)

Guidance literature:

With pyridine;

DOI:10.1021/ja01561a024

upstream raw materials:

n-octanoic acid chloride

cyclohexanol

octanoic acid ethyl ester

caprylic hydrazide

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