Tetradecylbenzene

Base Information

• Chemical Name: Tetradecylbenzene
• CAS No.: 1459-10-5
• Molecular Formula: C20H34
• Molecular Weight: 274.49
• Hs Code.: 29029000
• European Community (EC) Number: 215-950-3
• UNII: I0Y9J0O95A
• DSSTox Substance ID: DTXSID1051729
• Nikkaji Number: J113.351I
• Wikidata: Q27280212
• Mol file: 1459-10-5.mol

Synonyms:TETRADECYLBENZENE;1459-10-5;1-Phenyltetradecane;Benzene, tetradecyl-;Tetradecane, 1-phenyl-;n-Tetradecylbenzene;HSDB 5170;UNII-I0Y9J0O95A;I0Y9J0O95A;EINECS 215-950-3;1-Tetradecylbenzene;Myristylbenzene;tetradecylbenzol;Benzene,tetradecyl-;Phenyl-n-tetradecane;1-PHENYL-N-TETRADECANE;DTXSID1051729;1-PHENYLTETRADECANE [HSDB];BAA45910;C20H34;MFCD00015080;AKOS015839788;1-Phenyltetradecane, analytical standard;AS-56894;CS-0328706;FT-0676060;T0866;D92408;J-008167;Q27280212

Chemical Property of Tetradecylbenzene

Chemical Property:

• Appearance/Colour: colorless liquid with a mild odor, floats on water
• Vapor Pressure: 4.8E-05mmHg at 25°C
• Melting Point: 16 °C(lit.)
• Refractive Index: n20/D 1.481
• Boiling Point: 359.8 °C at 760 mmHg
• Flash Point: 160.4 °C
• PSA: 0.00000
• Density: 0.856 g/cm³
• LogP: 6.93020
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 274.266051085
• Heavy Atom Count: 20
• Complexity: 179

Purity/Quality:

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

Tetradecylbenzene >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: CCCCCCCCCCCCCCC1=CC=CC=C1

Technology Process of Tetradecylbenzene

There total 18 articles about Tetradecylbenzene 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: 71.0%

1-Bromotetradecane (112-71-0) + chlorobenzene (108-90-7) → tetradecylbenzene (1459-10-5)

Guidance literature:

1-Bromotetradecane; With magnesium; In diethyl ether; for 2h; Heating;

chlorobenzene; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); In diethyl ether; Further stages.; Heating;

DOI:10.1002/1521-3765(20020517)8:10<2248::AID-CHEM2248>3.0.CO;2-B

Reference yield: 50.0%

(6-bromohexyl)benzene (27976-27-8) + trioctylaluminum (1070-00-4) → tetradecylbenzene (1459-10-5)

Guidance literature:

With potassium fluoride; benzylnixantphos; iron(II) acetate; In tetrahydrofuran; at 0 - 40 ℃; for 12h; Inert atmosphere;

DOI:10.1246/cl.180954

Reference yield:

(6-bromohexyl)benzene (27976-27-8) + trioctylaluminum (1070-00-4) → hexylbenzene (1077-16-3) + 6-phenyl-1-hexene (1588-44-9) + tetradecylbenzene (1459-10-5)

Guidance literature:

With potassium fluoride; iron(II) acetate; bis[2-(diphenylphosphino)phenyl] ether; In tetrahydrofuran; at 0 - 40 ℃; for 8h; Reagent/catalyst; Inert atmosphere;

DOI:10.1246/cl.180954

upstream raw materials:

bromobenzene

1-Bromotetradecane

1-phenyl-tetradecan-1-one

benzene

Downstream raw materials:

C₂₃H₃₈O

2-Dimethylaminoaethyl-<4-tetradecyl-benzhydryl>-aether

Refernces

• 1、 Fürstner,Leitner. "General and user-friendly method for Suzuki reactions with aryl chlorides". . p. 290 - 292. Retrieved 2001.
• 2、 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.