1-Cyclohexylethyl acetate

Base Information

• Chemical Name: 1-Cyclohexylethyl acetate
• CAS No.: 13487-27-9
• Deprecated CAS: 145167-21-1
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2915390090
• European Community (EC) Number: 236-798-4
• UNII: 07O60RIB6R
• DSSTox Substance ID: DTXSID7051688
• Nikkaji Number: J160.109A
• Wikidata: Q27236317
• Mol file: 13487-27-9.mol

Synonyms:1-cyclohexylethyl acetate;13487-27-9;Cyclohexylmethylcarbinyl acetate;alpha-Methylcyclohexylmethyl acetate;UNII-07O60RIB6R;07O60RIB6R;Cyclohexanemethanol, .alpha.-methyl-, acetate;EINECS 236-798-4;Cyclohexanemethanol, alpha-methyl-, acetate;Cyclohexanemethanol, alpha-methyl-, 1-acetate;Cyclohexanemethanol, ?-methyl-, acetate;SCHEMBL873507;1-cyclohexylethan-1-yl acetate;DTXSID7051688;(r,s)-1-cyclohexylethyl acetate;a - methylcyclohexylmethyl acetate;Acetic acid 1-cyclohexylethyl ester;.alpha.-Methylcyclohexylmethyl acetate;Cyclohexanemethanol, .alpha.-methyl-, 1-acetate;Q27236317

Chemical Property of 1-Cyclohexylethyl acetate

Chemical Property:

• Vapor Pressure: 38.5Pa at 24℃
• Boiling Point: 202.7°Cat760mmHg
• Flash Point: 72.2°C
• PSA: 26.30000
• Density: 0.953g/cm³
• LogP: 2.51990
• Water Solubility.: 43mg/L at 24℃
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CCCCC1)OC(=O)C

Technology Process of 1-Cyclohexylethyl acetate

There total 11 articles about 1-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: 100.0%

rac-1-cyclohexylethanol (1193-81-3) + acetic anhydride (108-24-7) → 1-cyclohexylethan-1-yl acetate (13487-27-9)

Guidance literature:

With dmap; In ethyl acetate;

DOI:10.1016/j.tetasy.2009.02.008

Reference yield: 86.0%

Isopropenyl acetate (108-22-5) + rac-1-cyclohexylethanol (1193-81-3) → 1-cyclohexylethan-1-yl acetate (13487-27-9)

Guidance literature:

With Novozym 435; (isopropylamino)(tetraphenyl)cyclopentadienyl Ru(CO)2Cl; potassium tert-butylate; In toluene; at 25 ℃; for 72h;

DOI:10.1002/1521-3773(20020703)41:13<2373::AID-ANIE2373>3.0.CO;2-7

Reference yield: 79.0%

rac-1-cyclohexylethanol (1193-81-3) + acetic acid (64-19-7,77671-22-8) → 1-cyclohexylethan-1-yl acetate (13487-27-9)

Guidance literature:

With sulfonic acid-functionalized periodic mesoporous organosilicas with ethyl bridging group; at 60 ℃; for 24h;

DOI:10.1039/c5cy00267b

upstream raw materials:

rac-1-cyclohexylethanol

acetic anhydride

acetyl chloride

cis-bicyclo<5.1.0>octane

Downstream raw materials:

vinylcyclohexane

ethylidenecyclohexane

(R)-1-cyclohexylethanol

(S)-(-)-1-cyclohexylethyl acetate

Refernces

• 1、 Karimi, Babak,Mirzaei, Hamid M.,Mobaraki, Akbar,Vali, Hojatollah. "Sulfonic acid-functionalized periodic mesoporous organosilicas in esterification and selective acylation reactions". . p. 3624 - 3631. Retrieved 2015/07/01.
• 2、 Ghorbani-Vaghei, Ramin,Toghraei-Semiromi, Zahra. "N,N'-Diiodo-N,N'-1,2-ethanediylbis(p-toluenesulfonamide) as an efficient catalyst for acetylation of alcohols, phenols, amines, and thiols under solvent-free conditions". experimental part. p. 1701 - 1707. Retrieved 2010/09/17.