Cyclohexyl propionate

Base Information

• Chemical Name: Cyclohexyl propionate
• CAS No.: 6222-35-1
• Molecular Formula: C9H16 O2
• Molecular Weight: 156.225
• Hs Code.: 2915509000
• European Community (EC) Number: 228-303-5
• NSC Number: 11770
• UNII: 7697L79NDU
• DSSTox Substance ID: DTXSID20211277
• Nikkaji Number: J47.205K
• Wikidata: Q27266471
• Metabolomics Workbench ID: 47278
• Mol file: 6222-35-1.mol

Synonyms:CYCLOHEXYL PROPIONATE;6222-35-1;Cyclohexyl propanoate;Propionic acid cyclohexyl ester;Propanoic acid, cyclohexyl ester;cyclohexylpropionate;Propionic acid, cyclohexyl ester;FEMA No. 2354;AI3-17708;Cyclohexyl n-propionate;UNII-7697L79NDU;7697L79NDU;EINECS 228-303-5;NSC-11770;Cyclohexyl=propionate;starbld0016573;SCHEMBL183236;Cyclohexyl propionate, >=99%;FEMA 2354;DTXSID20211277;CHEBI:171769;NSC11770;CYCLOHEXYL PROPIONATE [FHFI];MFCD00046352;NSC 11770;AKOS015961893;BS-23511;FT-0624199;P0504;D91966;1H-Indazole-3-carboxylicacid, 6-bromo-, methyl ester;Q27266471

Chemical Property of Cyclohexyl propionate

Chemical Property:

• Vapor Pressure: 0.385mmHg at 25°C
• Refractive Index: n20/D 1.441(lit.)
• Boiling Point: 72-73 ºC10 mm Hg(lit.)
• Flash Point: 154 ºF
• PSA: 26.30000
• Density: 0.954 g/mL at 25 °C(lit.)
• LogP: 2.27230
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclohexyl Propionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(=O)OC1CCCCC1
• Uses: Cyclohexyl Propionate is a synthetic flavoring agent that is a sta- ble, colorless liquid of fruity odor. it is stored in glass or tin contain- ers. it is used in fruit flavors such as pineapple with applications in beverages, candy, ice cream, and baked goods at approximately 3 ppm.

Technology Process of Cyclohexyl propionate

There total 13 articles about Cyclohexyl propionate 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: 98.0%

propionic acid anhydride (123-62-6) + cyclohexanol (108-93-0) → cyclohexyl propionate (6222-35-1)

Guidance literature:

With tris(pentafluorophenyl)borate; In neat (no solvent); at 20 ℃; for 0.0666667h; Green chemistry;

DOI:10.1016/j.tetlet.2014.01.124

Reference yield: 97.0%

propionic acid (802294-64-0,79-09-4) + cyclohexanol (108-93-0) → cyclohexyl propionate (6222-35-1)

Guidance literature:

With dmap; 4-methyl-benzoyl chloride; triethylamine; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1021/ol0524048

Reference yield: 93.0%

propionyl chloride (79-03-8) + cyclohexanol (108-93-0) → cyclohexyl propionate (6222-35-1)

Guidance literature:

at 20 ℃; for 2.5h;

DOI:10.1002/chem.200600280

upstream raw materials:

propionic acid

cyclohexanol

propiononitrile

cyclohexene

Downstream raw materials:

benzyl cyclohexanecarboxylate

cyclohexane

propionic acid

cyclohexanol

Refernces

• 1、 -. "Method for preparing propionate by ester alcohol exchange". Paragraph 0038-0039. . Retrieved 2019/07/04.
• 2、 Nguyen, Hai Truong,Tran, Phuong Hoang. "An extremely efficient and green method for the acylation of secondary alcohols, phenols and naphthols with a deep eutectic solvent as the catalyst". . p. 98365 - 98368. Retrieved 2016/10/31.