2-Hexylcyclopentanone

Base Information

• Chemical Name: 2-Hexylcyclopentanone
• CAS No.: 13074-65-2
• Deprecated CAS: 160637-62-7
• Molecular Formula: C11H20 O
• Molecular Weight: 168.279
• Hs Code.: 2914299000
• European Community (EC) Number: 235-970-6
• UNII: 97O72GYM1E
• DSSTox Substance ID: DTXSID90864355
• Nikkaji Number: J160.202K
• Wikidata: Q27272027
• Mol file: 13074-65-2.mol

Synonyms:2-hexylcyclopentanone

Chemical Property of 2-Hexylcyclopentanone

Chemical Property:

• Appearance/Colour: light yellow liquid
• Vapor Pressure: 2.1Pa at 20℃
• Melting Point: 234.9 °C at 760 mmHg
• Refractive Index: 1.4495
• Boiling Point: 92 ºC at 4 mm Hg
• Flash Point: 88.6 °C
• PSA: 17.07000
• Density: 0.891 g/cm³
• LogP: 3.32600
• Storage Temp.: 2-8°C
• Water Solubility.: 59.5mg/L at 20℃
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

99.9% ^*data from raw suppliers

2-Hexylcyclopentanone(95%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1CCCC1=O

Technology Process of 2-Hexylcyclopentanone

There total 18 articles about 2-Hexylcyclopentanone 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: 68.0%

1-hexene (592-41-6,25067-06-5) + cyclopentanone (120-92-3) → 2-hexylcyclopentanone (13074-65-2)

Guidance literature:

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

Reference yield:

hexanal (66-25-1) + cyclopentanone (120-92-3) → 2-hexylcyclopentanone (13074-65-2)

Guidance literature:

With hydrogen; at 140 ℃; for 6.66667h; under 26252.6 Torr; Autoclave;

DOI:10.1016/j.apcata.2021.118107

Reference yield:

1-Trimethylsiloxy-2-n-hexylcyclopenten (39834-30-5) → 2-hexylcyclopentanone (13074-65-2)

Guidance literature:

(hydrolysis);

DOI:10.1021/ja00782a077

upstream raw materials:

2-hexylidenecyclopentanone

1-hexene

lithium cyclopent-1-enolate

cyclopentanone

Downstream raw materials:

2-(n-hexyl)-2-cyclopenten-1-one

(E)-2-n-hexylidenecyclopentanone

2-chloro-2-hexylcyclopentanone

5-Hydroxyundecansaeure

Refernces

• 1、 Xue, Weiyang,Gu, Bin,Wu, Huiling,Liu, Mengyang,He, Songbo,Li, Jingmei,Rong, Xin,Sun, Chenglin. "One-pot synthesis of 2-alkyl cycloketones on bifunctional Pd/ZrO2 catalyst". . . Retrieved 2021/03/26.
• 2、 Mo, Fanyang,Dong, Guangbin. "Regioselective ketone α-alkylation with simple olefins via dual activation". . p. 68 - 72. Retrieved 2014/07/21.