Undecylcyclohexane

Base Information

• Chemical Name: Undecylcyclohexane
• CAS No.: 54105-66-7
• Molecular Formula: C17H34
• Molecular Weight: 238.457
• Hs Code.: 2902199090
• European Community (EC) Number: 258-976-0
• DSSTox Substance ID: DTXSID50202451
• Nikkaji Number: J126.140A
• Wikidata: Q83075719
• Mol file: 54105-66-7.mol

Synonyms:UNDECYLCYCLOHEXANE;n-Undecylcyclohexane;54105-66-7;Cyclohexane, undecyl-;EINECS 258-976-0;undecyl-Cyclohexane;1-Cyclohexylundecane;DTXSID50202451;CHEBI:183291;MFCD00045505;BS-23815;CS-0205013;FT-0640220;U0037;D92756

Chemical Property of Undecylcyclohexane

Chemical Property:

• Melting Point: 5.81°C
• Refractive Index: 1.4530 to 1.4560
• Boiling Point: 315.8°Cat760mmHg
• Flash Point: 137.6°C
• PSA: 0.00000
• Density: 0.814g/cm³
• LogP: 6.48760
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 238.266051085
• Heavy Atom Count: 17
• Complexity: 144

Purity/Quality:

98% ^*data from raw suppliers

Undecylcyclohexane >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCCC1CCCCC1

Technology Process of Undecylcyclohexane

There total 12 articles about Undecylcyclohexane 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%

n-decyllithium (4416-59-5) + cyclohexylmethyl trifluoromethanesulfonate (70869-86-2) → n-undecylcyclohexane (54105-66-7)

Guidance literature:

With copper(I) bromide dimethylsulfide complex; In diethyl ether; at 0 ℃; Inert atmosphere;

DOI:10.1039/c7ob02505j

Reference yield:

tallow oil + decalin (91-17-8) → cis-decahydronaphthalene + trans-decalin + naphthalene (91-20-3,71998-51-1,72931-45-4) + tetralin (119-64-2) + octane (111-65-9) + nonane (111-84-2) + dodecane (112-40-3) + pentadecane (629-62-9) + icosane (112-95-8) + n-docosane (629-97-0) + methane (34557-54-5,27936-85-2) + n-heptane (142-82-5) + Tridecane (629-50-5) + isotridecane (1560-97-0) + tetradecane (629-59-4) + 3-methyl-tridecane (6418-41-3) + 2-methyltridecane (1560-96-9) + 3-methyltetradecane (18435-22-8) + isopentadecane (1560-95-8) + 3-methylpentadecane (2882-96-4) + 2-methylpentadecane (1560-93-6) + Hexadecane (544-76-3) + hepatdecane (629-78-7) + 3-methylhexadecane (6418-43-5) + 2-methyl-hexadecane (1560-92-5) + octadecane (593-45-3) + 3-methyl-heptadecane (6418-44-6) + 2-methylheptadecane (1560-89-0) + n-nonadecane (629-92-5) + phytane (638-36-8) + 2-methyl-eicosane (1560-84-5) + n-tricosane (638-67-5) + octadec-1-ene (112-88-9) + n-undecylcyclohexane (54105-66-7) + 1,3,5-trimethylcyclohexane (1839-63-0) + bicyclopentyl (1636-39-1) + decahydro-2-methyl naphthalene (2958-76-1)

Guidance literature:

With Dimethyldisulphide; hydrogen; cobalt-molybdenum on alumina; at 363 ℃; for 120h; under 75757.6 Torr; Product distribution / selectivity;

Reference yield:

cis-Octadecenoic acid (112-80-1,2027-47-6) → nonane (111-84-2) + decane (124-18-5) + n-Undecane (1120-21-4) + dodecane (112-40-3) + Tridecane (629-50-5) + Hexadecane (544-76-3) + hepatdecane (629-78-7) + 1-Methyl-3-ethylbenzene (620-14-4) + n-undecylcyclohexane (54105-66-7) + ethylbenzene (100-41-4,27536-89-6) + 1-Methyl-3-propylbenzene (1074-43-7) + 1,2,3-trimethylcyclopentene (473-91-6)

Guidance literature:

With carbon dioxide; at 360 ℃; for 5h; Reagent/catalyst; Autoclave; High pressure; Green chemistry;

DOI:10.1039/c7gc01853c

upstream raw materials:

cyclohexanecarbonyl dodecanoyl peroxide

decalin

lauric acid

peroxylaurinoic acid

Refernces

• 1、 Bernauer, Josef,Wu, Guojiao,Von Wangelin, Axel. "Iron-catalysed allylation-hydrogenation sequences as masked alkyl-alkyl cross-couplings". . p. 31217 - 31223. Retrieved 2019/10/19.
• 2、 -. "Process for hydrogenation of carboxylic acids and derivatives to hydrocarbons". Page/Page column 7-8. . Retrieved 2008/06/13.