Decylbenzene

Base Information

• Chemical Name: Decylbenzene
• CAS No.: 104-72-3
• Molecular Formula: C16H26
• Molecular Weight: 218.382
• Hs Code.: 2902909090
• European Community (EC) Number: 203-230-1
• NSC Number: 74191
• UN Number: 3082
• UNII: KIR29W0BP0
• DSSTox Substance ID: DTXSID5051529
• Nikkaji Number: J121.267B
• Wikidata: Q27282268
• Mol file: 104-72-3.mol

Synonyms:1-Phenyldecane;DECYLBENZENE;104-72-3;n-Decylbenzene;Benzene, decyl-;Decane, 1-phenyl-;phenyldecane;n-decyl benzene;UNII-KIR29W0BP0;KIR29W0BP0;HSDB 920;DTXSID5051529;EINECS 203-230-1;NSC 74191;NSC-74191;Decane, phenyl-;decylbenzen-;decyl-Benzene;1-phenyl-decan;1-Phenyldecane, 98%;1-PHENYL-N-DECANE;NCIOpen2_004097;N-DECYLBENZENE [HSDB];DTXCID6030079;CHEBI:183288;1-Phenyldecane, analytical standard;BCP25279;NSC74191;Tox21_303866;MFCD00008955;AKOS015840680;NCGC00357130-01;CAS-104-72-3;CS-0186362;D0034;FT-0631574;D89583;A801044;Q27282268

Chemical Property of Decylbenzene

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.00212mmHg at 25°C
• Melting Point: −14 °C(lit.)
• Refractive Index: n20/D 1.482(lit.)
• Boiling Point: 293 °C(lit.)
• Flash Point: 126.8°C
• PSA: 0.00000
• Density: 0.858g/cm³
• LogP: 5.36980
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 218.203450829
• Heavy Atom Count: 16
• Complexity: 133
• Transport DOT Label: Class 9

Purity/Quality:

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

Decylbenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: CCCCCCCCCCC1=CC=CC=C1
• Uses: 1-Phenyldecane is used as an enhancer to reduce interference in ion-selective membrane electrodes for determining carbon dioxide.

Technology Process of Decylbenzene

There total 66 articles about Decylbenzene 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: 95.0%

1-phenyl-2-tosyl-2-decyl isocyanide (93662-64-7) → decylbenzene (104-72-3)

Guidance literature:

With lithium; In diethyl ether; ethanol; ammonia; at -32 ℃; for 2h;

DOI:10.1016/0040-4039(84)80057-X

Reference yield: 84.4%

1-bromo dodecane (112-29-8) + triphenylphosphine (603-35-0) → decylbenzene (104-72-3) + 1-diphenylphosphinodecane

Guidance literature:

triphenylphosphine; With lithium; In 1,4-dioxane; at 20 ℃; for 3h; Inert atmosphere;

1-bromo dodecane; In 1,4-dioxane; at 10 - 80 ℃; for 6.25h;

Reference yield: 84.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → decylbenzene (104-72-3)

Guidance literature:

With sodium acetylacetonate; C₁₀₇H₁₂₆N₂NiO₂; sodium hydride; In neat (no solvent); at 120 ℃; for 120h; Reagent/catalyst; regioselective reaction;

DOI:10.1038/s41557-019-0409-4

upstream raw materials:

bromobenzene

Iododecane

decanophenone

1-bromo dodecane

Downstream raw materials:

4-oxo-4-(4-decyl-phenyl)-trans-crotonic acid

4-decylbenzoic acid

4-decylphenol

1,4-bis-decyl-benzene

Refernces

• 1、 Fouquet, Eric,Pereyre, Michel,Rodriguez, Alain L.. "New monoorganostannanes as efficient reagents for palladium-catalyzed coupling reactions". . p. 5242 - 5243. Retrieved 1997.
• 2、 Luehmann, Nicole,Panisch, Robin,Mueller, Thomas. "A catalytic C-C bond-forming reaction between aliphatic fluorohydrocarbons and arylsilanes". . p. 533 - 537. Retrieved 2010.
• 3、 Bai, Songlin,Gao, Yadong,Jiang, Chao,Liu, Xiaolei,Qi, Xiangbing,Wang, Jing,Wu, Qingcui,Yang, Chao. "Visible-Light-Induced Nickel-Catalyzed Cross-Coupling with Alkylzirconocenes from Unactivated Alkenes". supporting information. p. 675 - 688. Retrieved 2020/03/11.
• 4、 Chesnokov,Chichkan,Paukshtis,Chesalov, Yu. A.,Krasnov. "Hexadecane Conversion on an Alumina–Nickel Catalyst". . p. 439 - 445. Retrieved 2019/09/04.