Cyclohexyl nonanoate

Base Information

• Chemical Name: Cyclohexyl nonanoate
• CAS No.: 1551-41-3
• Molecular Formula: C₁₅H₂₈O₂
• Molecular Weight: 240.386
• NSC Number: 71514
• DSSTox Substance ID: DTXSID20935128
• Nikkaji Number: J2.781.646K
• Wikidata: Q82911136
• Mol file: 1551-41-3.mol

Synonyms:cyclohexyl nonanoate;1551-41-3;NSC71514;cyclo-hexyl nonanoate;Nonanoic acid, cyclohexyl ester;SCHEMBL11417497;DTXSID20935128;ZXGCFXPVWOGXMA-UHFFFAOYSA-N;NSC-71514

Chemical Property of Cyclohexyl nonanoate

Chemical Property:

• Vapor Pressure: 0.00146mmHg at 25°C
• Boiling Point: 296.1°Cat760mmHg
• Flash Point: 121.1°C
• Density: 0.92g/cm³
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 240.208930132
• Heavy Atom Count: 17
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(=O)OC1CCCCC1

Technology Process of Cyclohexyl nonanoate

There total 3 articles about Cyclohexyl nonanoate 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:

oct-1-ene (111-66-0,25068-25-1) + carbon monoxide (201230-82-2) + cyclohexanol (108-93-0) → nonanoic acid cyclohexyl ester (1551-41-3) + C15H28O2

Guidance literature:

With water; palladium dichloride; 2-(dicyclohexylphosphino)-1-(2-methoxyphenyl)-1H-pyrrole; In toluene; at 100 ℃; for 20h; under 30003 Torr; Overall yield = 96 %; regioselective reaction;

DOI:10.1038/nchem.2586

Reference yield:

Nonanoyl chloride (764-85-2) + cyclohexanol (108-93-0) → nonanoic acid cyclohexyl ester (1551-41-3)

Guidance literature:

With pyridine;

DOI:10.1021/ja01561a024

Reference yield:

→ nonanoic acid cyclohexyl ester (1551-41-3)

Guidance literature:

Pelargonsaeure, Cyclohexanol, Kaliumsalz Benzolsulfonsaeure;

upstream raw materials:

Nonanoyl chloride

cyclohexanol

oct-1-ene

carbon monoxide