2-Cyclohexylethyl acetate

Base Information

• Chemical Name: 2-Cyclohexylethyl acetate
• CAS No.: 21722-83-8
• Molecular Formula: C10H18O2
• Molecular Weight: 170.252
• Hs Code.: 2915390090
• European Community (EC) Number: 244-543-3
• UNII: 15W91S5XTZ
• DSSTox Substance ID: DTXSID3047188
• Nikkaji Number: J33.453G
• Wikidata: Q27251747
• Metabolomics Workbench ID: 44845
• ChEMBL ID: CHEMBL3560993
• Mol file: 21722-83-8.mol

Synonyms:2-Cyclohexylethyl acetate;Cyclohexylethyl acetate;21722-83-8;Cyclohexaneethanol, acetate;Cyclohexaneethyl acetate;Ethylcyclohexyl acetate;Cyclohexane ethyl acetate;Hexahydrophenethyl acetate;Hexahydrophenyl ethyl acetate;Cyclohexaneethanol acetate;Cyclohexaneethanol, 1-acetate;FEMA No. 2348;ACETIC ACID, CYCLOHEXYLETHYL ESTER;FEMA 2348;15W91S5XTZ;DTXSID3047188;EINECS 244-543-3;BRN 2244135;AI3-17442;cyclohexyl ethyl acetate;2-Cyclohexylethyl=acetate;UNII-15W91S5XTZ;SCHEMBL18439;CHEMBL3560993;DTXCID1027188;NOTFZGFABLVTIG-UHFFFAOYSA-;CHEBI:180232;Cyclohexaneethyl acetate, >=98%;Tox21_302452;CYCLOHEXYLETHYL ACETATE [INCI];CYCLOHEXANEETHYL ACETATE [FHFI];LS-2645;2-CYCLOHEXYLETHYL ACETATE [INCI];NCGC00256680-01;CAS-21722-83-8;FT-0621763;W-110537;Q27251747

Chemical Property of 2-Cyclohexylethyl acetate

Chemical Property:

• Vapor Pressure: 0.152mmHg at 25°C
• Refractive Index: n20/D 1.448(lit.)
• Boiling Point: 214.9°Cat760mmHg
• Flash Point: 81.1°C
• PSA: 26.30000
• Density: 0.943g/cm³
• LogP: 2.51990
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

98% ^*data from raw suppliers

CYCLOHEXANEETHYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCC1CCCCC1

Technology Process of 2-Cyclohexylethyl acetate

There total 14 articles about 2-Cyclohexylethyl acetate 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: 95.0%

cyclohexylethan-1-ol (4442-79-9) + acetic anhydride (108-24-7) → cyclohexyl ethyl acetate (21722-83-8)

Guidance literature:

With lithium trifluoromethanesulfonate; at 20 ℃; for 15h;

DOI:10.1021/jo026678+

Reference yield: 90.0%

cyclohexylethan-1-ol (4442-79-9) + ammonium acetate (631-61-8,92206-38-7) → cyclohexyl ethyl acetate (21722-83-8)

Guidance literature:

With bromine; triphenylphosphine; In acetonitrile; at 20 ℃; for 0.33h;

DOI:10.1016/j.tetlet.2013.01.068

Reference yield: 67.0%

methanol (67-56-1) + cyclohexylethan-1-ol (4442-79-9) → cyclohexyl ethyl acetate (21722-83-8)

Guidance literature:

With sodium t-butanolate; In toluene; at 100 ℃; for 65h;

DOI:10.1039/c5cy00002e

upstream raw materials:

cyclohexylethan-1-ol

vinyl acetate

cyclohexylmercury chloride

Cyclohexylquecksilberacetat

Downstream raw materials:

vinylcyclohexane

acetic acid

Refernces

• 1、 Guha, Nitul Ranjan,Sharma, Saurabh,Bhattacherjee, Dhananjay,Thakur, Vandna,Bharti, Richa,Reddy, C. Bal,Das, Pralay. "Oxidative "reverse-esterification" of ethanol with benzyl/alkyl alcohols or aldehydes catalyzed by supported rhodium nanoparticles". supporting information. p. 1206 - 1211. Retrieved 2016/03/09.
• 2、 Guha, Nitul Ranjan,Bhattacherjee, Dhananjay,Das, Pralay. "Polystyrene trimethyl ammonium chloride impregnated Rh(0) (Rh@PMe3NCl) as a catalyst and methylating agent for esterification of alcohols through selective oxidation of methanol". . p. 2575 - 2580. Retrieved 2015/06/30.