Octylcyclohexane

Base Information

• Chemical Name: Octylcyclohexane
• CAS No.: 1795-15-9
• Molecular Formula: C14H28
• Molecular Weight: 196.376
• European Community (EC) Number: 217-271-8
• NSC Number: 174942
• UNII: WN5PG18MPD
• DSSTox Substance ID: DTXSID3061972
• Nikkaji Number: J144.906K
• Wikidata: Q77516926
• Metabolomics Workbench ID: 105570
• Mol file: 1795-15-9.mol

Synonyms:n-Octylcyclohexane;Octylcyclohexane;1795-15-9;Cyclohexane, octyl-;1-CYCLOHEXYLOCTANE;Octane, 1-cyclohexyl-;WN5PG18MPD;EINECS 217-271-8;NSC 174942;NSC-174942;NSC174942;Cyclohexane, n-octyl-;UNII-WN5PG18MPD;C(CCCCCCC)C1CCCCC1;DTXSID3061972;BAA79515;MFCD00039464;AS-47896;CS-0205156;FT-0633843;O0138;F16716

Chemical Property of Octylcyclohexane

Chemical Property:

• Vapor Pressure: 0.0158mmHg at 25°C
• Melting Point: -19.69°C
• Refractive Index: 1.445
• Boiling Point: 264.5 °C at 760 mmHg
• Flash Point: 105.4 °C
• PSA: 0.00000
• Density: 0.807 g/cm³
• LogP: 5.31730
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 196.219100893
• Heavy Atom Count: 14
• Complexity: 111

Purity/Quality:

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

n-Octylcyclohexane >98.0%(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: CCCCCCCCC1CCCCC1

Technology Process of Octylcyclohexane

There total 20 articles about Octylcyclohexane 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: 99.0%

Octylbenzene (2189-60-8) → 1-cyclohexyloctane (1795-15-9)

Guidance literature:

With hydrogen; In neat (no solvent); at 50 ℃; for 64h; under 760.051 Torr; Temperature;

DOI:10.1021/jacs.8b06015

Reference yield: 90.0%

1-Fluoro-octane (463-11-6) + cyclohexylmagnesiumchloride (931-51-1) → 1-cyclohexyloctane (1795-15-9)

Guidance literature:

With penta-1,3-diene; cobalt(II) chloride; lithium iodide; In tetrahydrofuran; at -78 - 50 ℃; for 24h;

DOI:10.1021/acs.orglett.7b01370

Reference yield: 87.0%

1-bromocyclohexane (108-85-0) + octylmagnesium bromide (17049-49-9) → 1-cyclohexyloctane (1795-15-9)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; cobalt(II) chloride; lithium iodide; In tetrahydrofuran; at 10 ℃; for 1h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/adsc.200800166

upstream raw materials:

Octylbenzene

1-bromocyclohexane

1-bromo-octane

1-hexene

Downstream raw materials:

propene

methane

ethane

ethene

Refernces

• 1、 Miyamura, Hiroyuki,Suzuki, Aya,Yasukawa, Tomohiro,Kobayashi, Shu. "Polysilane-Immobilized Rh-Pt Bimetallic Nanoparticles as Powerful Arene Hydrogenation Catalysts: Synthesis, Reactions under Batch and Flow Conditions and Reaction Mechanism". supporting information. p. 11325 - 11334. Retrieved 2018/09/06.
• 2、 Iwasaki, Takanori,Yamashita, Koji,Kuniyasu, Hitoshi,Kambe, Nobuaki. "Co-Catalyzed Cross-Coupling Reaction of Alkyl Fluorides with Alkyl Grignard Reagents". supporting information. p. 3691 - 3694. Retrieved 2017/07/26.