1-Phenyloctadecane

Base Information

• Chemical Name: 1-Phenyloctadecane
• CAS No.: 4445-07-2
• Molecular Formula: C24H42
• Molecular Weight: 330.597
• Hs Code.: 29029090
• European Community (EC) Number: 224-684-7
• NSC Number: 41235
• UNII: 2PUR93PL86
• DSSTox Substance ID: DTXSID7063477
• Nikkaji Number: J103.619J
• Wikidata: Q81985308
• Mol file: 4445-07-2.mol

Synonyms:1-Phenyloctadecane;Octadecylbenzene;4445-07-2;n-Octadecylbenzene;Stearylbenzene;Benzene, octadecyl-;Octadecane, 1-phenyl-;2-Phenyloctadecane;2PUR93PL86;NSC-41235;NSC41235;n-OCTADECYL BENZENE;UNII-2PUR93PL86;DTXSID7063477;EINECS 224-684-7;MFCD00048500;NSC 41235;AKOS015840685;1-Phenyloctadecane, analytical standard;CS-0313526;FT-0635301;O0160;D87763;EC 224-684-7

Chemical Property of 1-Phenyloctadecane

Chemical Property:

• Appearance/Colour: white to light yellow low melting solid
• Vapor Pressure: 1.69E-06mmHg at 25°C
• Melting Point: 32-36 °C
• Refractive Index: 1.4809
• Boiling Point: 249 °C (15 mmHg)
• Flash Point: 186.1°C
• PSA: 0.00000
• Density: 0.855g/cm³
• LogP: 8.49060
• XLogP3: 12
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 17
• Exact Mass: 330.328651340
• Heavy Atom Count: 24
• Complexity: 226

Purity/Quality:

98% ^*data from raw suppliers

Octadecylbenzene >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCC1=CC=CC=C1

Technology Process of 1-Phenyloctadecane

There total 12 articles about 1-Phenyloctadecane 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: 69.0%

phenyloctadecanone → octadecylbenzene (4445-07-2)

Guidance literature:

With hydrogenchloride; zinc; In water; at 100 ℃; for 6h;

DOI:10.1007/s00044-017-2105-5

Reference yield:

octadecanophenone (6786-36-3) → octadecylbenzene (4445-07-2)

Guidance literature:

With hydrogenchloride; amalgamated zinc; xylene; Einleiten von HCl;

DOI:10.1021/ja01871a070 DOI:10.1021/jo01229a001

Reference yield:

iodobenzene (591-50-4) + n-iodooctadecane (629-93-6) → octadecylbenzene (4445-07-2)

Guidance literature:

With sodium; benzene; anschliessend Erhitzen ohne Loesungsmittel auf 150grad;

DOI:10.1021/ja01871a070

upstream raw materials:

iodobenzene

n-iodooctadecane

octadecanophenone

1-Bromooctadecane

Downstream raw materials:

octadecylcyclohexane

4-octadecylbenzenesulfonic acid

p-nitrooctadecylbenzene

p-Octadecyl-benzophenon

Refernces

• 1、 Zygadlo,Dardas,Nowicka,Hofmann,Galewski. "Liquid-crystalline polymorphism of symmetrical azobananas: Bis(4-(4-alkylphenyl)azophenyl) 2-nitroisophtalates". scheme or table. p. 283 - 291. Retrieved 2011/08/02.