1-Ethylcyclohexyl acetate

Base Information

• Chemical Name: 1-Ethylcyclohexyl acetate
• CAS No.: 3742-81-2
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2915390090
• European Community (EC) Number: 223-134-3
• DSSTox Substance ID: DTXSID90863267
• Nikkaji Number: J174.560C
• Wikidata: Q82854436
• Mol file: 3742-81-2.mol

Synonyms:1-Ethylcyclohexyl acetate;Cyclohexanol, 1-ethyl-, acetate;3742-81-2;Cyclohexanol, 1-ethyl-, 1-acetate;EINECS 223-134-3;ethyl acetate=cyclohexane;1-Ethylcyclohexanol acetate;1-Ethylcyclohexyl acetate #;SCHEMBL440062;DTXSID90863267

Chemical Property of 1-Ethylcyclohexyl acetate

Chemical Property:

• Vapor Pressure: 0.314mmHg at 25°C
• Boiling Point: 201°Cat760mmHg
• Flash Point: 74.1°C
• PSA: 26.30000
• Density: 0.95g/cm³
• LogP: 2.66240
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

CYCLOHEXANOL-1-ETHYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CCCCC1)OC(=O)C

Technology Process of 1-Ethylcyclohexyl acetate

There total 10 articles about 1-Ethylcyclohexyl 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: 19.0%

1-ethylcyclohexanol (1940-18-7) + acetic anhydride (108-24-7) → 1-ethylcyclohexyl acetate (3742-81-2) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + dimethylglyoxal (431-03-8)

Guidance literature:

With cobalt(II) chloride; In acetonitrile; at 70 ℃; for 8h;

DOI:10.1021/jo00033a020

Reference yield:

1-ethylcyclohexanol (1940-18-7) + acetic anhydride (108-24-7) → 1-ethylcyclohexyl acetate (3742-81-2)

Guidance literature:

Reference yield:

p-toluenesulfonyl chloride (98-59-9) → Ethyl [[4-[4',5'-dihydro-3-oxo-spiro-[Δ4,9 -estradien-17β, 2'(3'H)-furan]-11β-yl-phenyl-methylamino] acetate + 1-ethylcyclohexyl acetate (3742-81-2)

Guidance literature:

In pyridine; water;

upstream raw materials:

1-ethylcyclohexanol

acetic anhydride

cyclohexanone

p-toluenesulfonyl chloride

Downstream raw materials:

2,6-dibromo-9-(3-O-acetyl-5-O-benzoyl-2-deoxy-2-fluoro-β-D-arabinofuranosyl)-9H-purine

trans 4-(tert-butyloxycarbonylaminoethyl)cyclohexaneacetaldehyde

diethyl trans-4-(2-N-t-butoxycarbonylaminoethyl)cyclohexylmethylmalonate

tert-butyl N-[[4-(cyanomethyl)cyclohexyl]methyl]carbamate