Decylcyclohexane

Base Information

• Chemical Name: Decylcyclohexane
• CAS No.: 1795-16-0
• Molecular Formula: C16H32
• Molecular Weight: 224.43
• European Community (EC) Number: 217-272-3
• NSC Number: 74192
• UNII: 7X5R5EE4ST
• DSSTox Substance ID: DTXSID8061973
• Nikkaji Number: J145G
• Wikidata: Q77512870
• Metabolomics Workbench ID: 106214
• Mol file: 1795-16-0.mol

Synonyms:Decylcyclohexane;1795-16-0;Cyclohexane, decyl-;N-DECYLCYCLOHEXANE;1-Cyclohexyldecane;1-Decylcyclohexane;Decane, 1-cyclohexyl-;7X5R5EE4ST;EINECS 217-272-3;NSC 74192;NSC-74192;decyl-Cyclohexane;Cyclohexane,decyl-;NSC74192;Cyclohexane, n-decyl-;UNII-7X5R5EE4ST;NCIOpen2_003924;DTXSID8061973;BAA79516;MFCD00055277;AKOS040744772;CS-0205026;D1231;FT-0700792;D89817

Chemical Property of Decylcyclohexane

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.00209mmHg at 25°C
• Melting Point: -2 °C
• Boiling Point: 299.7 °C at 760 mmHg
• Flash Point: 127.5 °C
• PSA: 0.00000
• Density: 0.812 g/cm³
• LogP: 6.09750
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 224.250401021
• Heavy Atom Count: 16
• Complexity: 133

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCC1CCCCC1

Technology Process of Decylcyclohexane

There total 7 articles about Decylcyclohexane 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: 48.0%

1-bromocyclohexane (108-85-0) + 1-Decene (872-05-9,17438-89-0,25189-70-2) → decylcyclohexane (1795-16-0)

Guidance literature:

1-Decene; With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 60 ℃; Inert atmosphere;

With isopropylmagnesium chloride; In tetrahydrofuran; at 0 - 25 ℃; for 2h; Inert atmosphere;

1-bromocyclohexane; Further stages;

DOI:10.1002/anie.201202797

Reference yield: 3.0%

1-dodecylbenzene (123-01-3) → decylcyclohexane (1795-16-0)

Guidance literature:

With hydrogen; 1-butyl-3-methylimidazolium Tetrafluoroborate; [Ru(η⁶-p-cymene)(η²-TRIPHOS)Cl][PF6]; at 90 ℃; for 1h; under 45603.1 Torr;

DOI:10.1021/ja026361r

Reference yield:

dec-1-en-1-ylbenzene (33206-62-1) → decylcyclohexane (1795-16-0)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

upstream raw materials:

dec-1-en-1-ylbenzene

1-dodecylbenzene

1-phenyl-1-decanol

nonylmagnesium bromide

Refernces

• 1、 Cahiez, Gerard,Chaboche, Christophe,Duplais, Christophe,Giulliani, Arianna,Moyeux, Alban. "Cobalt-catalyzed cross-coupling reaction between functionalized primary and secondary alkyl halides and aliphatic Grignard reagents". supporting information; experimental part. p. 1484 - 1488. Retrieved 2009/07/01.