Dodecylbenzene

Base Information

• Chemical Name: Dodecylbenzene
• CAS No.: 123-01-3
• Deprecated CAS: 28776-38-7
• Molecular Formula: C18H30
• Molecular Weight: 246.436
• Hs Code.: 29029030
• European Community (EC) Number: 204-591-8,270-486-9
• ICSC Number: 0265
• NSC Number: 102805,4584
• UNII: A2AX003680
• DSSTox Substance ID: DTXSID7026994
• Nikkaji Number: J5.538G
• Wikipedia: Dodecylbenzene
• Wikidata: Q414469
• Metabolomics Workbench ID: 130685
• ChEMBL ID: CHEMBL3187866
• Mol file: 123-01-3.mol

Synonyms:dodecylbenzene

Chemical Property of Dodecylbenzene

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.1 hPa (50 °C)
• Melting Point: -7 °C
• Refractive Index: n20/D 1.482(lit.)
• Boiling Point: 331.4 °C at 760 mmHg
• PKA: 50(at 25℃)
• Flash Point: 144.8 °C
• PSA: 0.00000
• Density: 0.856 g/mL at 25 °C
• LogP: 6.15000
• Storage Temp.: Store below +30°C.
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 246.234750957
• Heavy Atom Count: 18
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Statements: 53
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: CCCCCCCCCCCCC1=CC=CC=C1
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin.
• Uses: n-Dodecylbenzene, is a precursor to sodium dodecylbenzenesulfonate, a surfactant that is a key ingredient of household laundry detergents, such as Tide. It is a widely used cleaner, dyeing assistant in textile industrial, degrease agent in electroplate, leather, de- inking agent in papering, rubber and plastic, break emulsion agent in oil industry, artesian well foaming agent in oil well.

Technology Process of Dodecylbenzene

There total 71 articles about Dodecylbenzene 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: 85.0%

bromobenzene (108-86-1,52753-63-6) + 1-dodecylbromide (143-15-7) → biphenyl (92-52-4,1594-86-1) + 1-dodecylbenzene (123-01-3)

Guidance literature:

With nickel(II) bromide dimethoxyethane; 5,5'-bis(tris(3,5-diisopropylphenyl)methyl)-2,2'-bipyridine; zinc; In N,N-dimethyl acetamide; at 60 ℃; for 14h; Reagent/catalyst; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/chem.202004053

Reference yield: 32.84%

cis-Octadecenoic acid (112-80-1,2027-47-6) → heptylcyclopentane (5617-42-5) + dodecylcyclohexane (1795-17-1) + 1-dodecylbenzene (123-01-3)

Guidance literature:

With Cu₃P catalyst supported on ultra-stable zeolite Y; In dodecane; at 340 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.mcat.2021.111425

Reference yield:

1-hexene (592-41-6,25067-06-5) + 1,6-diphenyl-hexa-1,3,5-triene (1720-32-7) → decane (124-18-5) + n-Undecane (1120-21-4) + dodecane (112-40-3) + Hexadecane (544-76-3) + 1,4-diphenylbutane (1083-56-3) + pentylbenzene (538-68-1) + hexylbenzene (1077-16-3) + heptylbenzene (1078-71-3) + Octylbenzene (2189-60-8) + decylbenzene (104-72-3) + 1-dodecylbenzene (123-01-3) + 1,6-diphenylhexane (1087-49-6) + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7)

Guidance literature:

1-hexene; 1,6-diphenyl-hexa-1,3,5-triene; With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In toluene; at 100 ℃; for 2h; Schlenk technique; Inert atmosphere;

With palladium on activated charcoal; hydrogen; In ethanol; toluene; at 20 ℃; Schlenk technique;

DOI:10.1016/j.jorganchem.2017.04.018

upstream raw materials:

dodecanophenone

bromobenzene

1-dodecylbromide

benzene

Downstream raw materials:

(E)-4-(4-n-dodecylphenyl)-4-oxo-2-butenoic acid

4-dimethylphenyl-4-oxobutanoic acid

2-(4'-Dodecylbenzoyl)benzoic acid

4-dodecylbenzaldehyde