5-Pentylcyclohexane-1,3-dione

Base Information

• Chemical Name: 5-Pentylcyclohexane-1,3-dione
• CAS No.: 18456-88-7
• Molecular Formula: C11H18 O2
• Molecular Weight: 182.263
• Hs Code.: 2914299000
• European Community (EC) Number: 631-601-1
• DSSTox Substance ID: DTXSID00575804
• Wikidata: Q82465223
• Mol file: 18456-88-7.mol

Synonyms:5-PENTYLCYCLOHEXANE-1,3-DIONE;5-Pentyl-cyclohexane-1,3-dione;18456-88-7;SCHEMBL5210228;DTXSID00575804;AKOS006278138

Chemical Property of 5-Pentylcyclohexane-1,3-dione

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.461
• Boiling Point: 298.919°C at 760 mmHg
• Flash Point: 111.607°C
• PSA: 34.14000
• Density: 0.977g/cm³
• LogP: 2.50500
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

95% ^*data from raw suppliers

5-PENTYL-CYCLOHEXANE-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CC(=O)CC(=O)C1

Technology Process of 5-Pentylcyclohexane-1,3-dione

There total 4 articles about 5-Pentylcyclohexane-1,3-dione 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: 46.0%

Non-3-en-2-on (14309-57-0) + diethyl malonate (105-53-3) → 5-Pentyl-1,3-cyclohexanedione (18456-88-7)

Guidance literature:

Non-3-en-2-on; diethyl malonate; With sodium ethanolate; In ethanol; for 24h; Reflux; Inert atmosphere;

With potassium hydroxide; In ethanol; water; for 48h; Reflux;

With hydrogenchloride; In ethanol; water; at 0 ℃;

DOI:10.1039/d0ob02140g

Reference yield:

Olivetol (500-66-3) → 5-Pentyl-1,3-cyclohexanedione (18456-88-7)

Guidance literature:

With sodium hydroxide; nickel; at 125 ℃; under 139746 Torr; Hydrogenation;

DOI:10.1021/ja01865a081

Reference yield:

1,5-dimethoxy-3-pentylcyclohexa-1,4-diene (63171-67-5) → 5-Pentyl-1,3-cyclohexanedione (18456-88-7)

Guidance literature:

With hydrogenchloride; water; In acetone; at 20 ℃;

DOI:10.1039/b912233h

upstream raw materials:

Non-3-en-2-on

diethyl malonate

Olivetol

hexanal

Downstream raw materials:

Acetic acid 3-oxo-5-pentyl-cyclohex-1-enyl ester

2-Allyl-5-pentyl-1,3-cyclohexandion

2,2-Diallyl-5-pentyl-1,3-cyclohexandion

2-Methyl-2-(4-methyl-pent-3-enyl)-7-pentyl-6-phenylselanyl-2,6,7,8-tetrahydro-chromen-5-one