2-Pentylcyclohexanone

Base Information

• Chemical Name: 2-Pentylcyclohexanone
• CAS No.: 32362-97-3
• Molecular Formula: C11H20O
• Molecular Weight: 168.279
• Hs Code.: 2914299000
• European Community (EC) Number: 251-016-1
• DSSTox Substance ID: DTXSID20865633
• Nikkaji Number: J160.214D
• Mol file: 32362-97-3.mol

Synonyms:2-Pentylcyclohexanone;2-Pentylcyclohexan-1-one;32362-97-3;Cyclohexanone, 2-pentyl-;EINECS 251-016-1;amylcyclohexanone;pentylcyclohexanone;2-Pentylcyclohexanone #;SCHEMBL536549;DTXSID20865633;STL453696;AKOS010640750

Chemical Property of 2-Pentylcyclohexanone

Chemical Property:

• Vapor Pressure: 0.0458mmHg at 25°C
• Refractive Index: 1.449
• Boiling Point: 237.1 °C at 760 mmHg
• Flash Point: 89.9 °C
• PSA: 17.07000
• Density: 0.885g/cm³
• LogP: 3.32600
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

2-Pentylcyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CCCCC1=O

Technology Process of 2-Pentylcyclohexanone

There total 19 articles about 2-Pentylcyclohexanone 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: 90.0%

2-acetoxy-2-pentylcyclohexanone (79664-86-1) → 2-pentylcyclohexanone (32362-97-3)

Guidance literature:

With 2; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1246/cl.1992.1895

Reference yield: 76.0%

{2-[(2-Dimethylamino-ethyl)-methyl-amino]-cyclohex-1-enyl}-methanol → 2-pentylcyclohexanone (32362-97-3)

Guidance literature:

DOI:10.1021/ja00262a025

Reference yield: 70.0%

1-penten (109-67-1) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-pentylcyclohexanone (32362-97-3)

Guidance literature:

With tert.-butylhydroperoxide; at 150 - 160 ℃; under 12000.9 - 13501.1 Torr;

upstream raw materials:

2-oxo-1-pentyl-cyclohexanecarboxylic acid ethyl ester

1-Bromopentane

cyclohexanone

1,10-decadiene

Downstream raw materials:

2-pentylphenol

2-Pentyl-1-cyclohexen-1-yl acetate

2-Bromo-2-pentylcyclohexanone

6-Iodo-2-pentylcyclohexanone

Refernces

• 1、 Abbasov,Alimardanov,Suleimanova. "Catalytic oxidation of alkyl- and cycloalkylcyclanones into lactones". . p. 621 - 626. Retrieved 2007/10/03.
• 2、 Fellous, R.,Lizzani-Cuvelier, L.,Loiseau, M. A.,Sassy, E.. "Resolution of Racemic ε-Lactones". . p. 343 - 346. Retrieved 2007/10/02.