1,2-Diethylbenzene

Base Information

• Chemical Name: 1,2-Diethylbenzene
• CAS No.: 135-01-3
• Deprecated CAS: 1300-82-9
• Molecular Formula: C₁₀H₁₄
• Molecular Weight: 134.221
• European Community (EC) Number: 205-170-1
• UNII: 25HOX6T1LU
• DSSTox Substance ID: DTXSID6052742
• Nikkaji Number: J43.479E
• Wikidata: Q2429316
• ChEMBL ID: CHEMBL3186870
• Mol file: 135-01-3.mol

Synonyms:1,2-diethylbenzene

Chemical Property of 1,2-Diethylbenzene

Chemical Property:

• Appearance/Colour: Colorless transparent liquid
• Vapor Pressure: 1.05mmHg at 25°C
• Melting Point: -31 °C(lit.)
• Refractive Index: n20/D 1.502(lit.)
• Boiling Point: 183.5 °C at 760 mmHg
• Flash Point: 49.4 °C
• PSA: 0.00000
• Density: 0.865 g/cm³
• LogP: 2.81140
• Water Solubility.: Miscible with alcohol, benzene and carbon tetrachloride. Immiscible with water.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 74

Purity/Quality:

99% ^*data from raw suppliers

1,2-Diethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aromatic Solvents
• Canonical SMILES: CCC1=CC=CC=C1CC
• Uses: 1,2-Diethylbenzene is used as an intermediate and a building block in organic synthesis. 1,2-Diethylbenzene is used as one of the chemical composition of essential oils from flower and leaf of korean mint.

Technology Process of 1,2-Diethylbenzene

There total 67 articles about 1,2-Diethylbenzene 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: 30.0%

trifluoromethanesulfonic acid ethyl ester (425-75-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → ethylbenzene (100-41-4,27536-89-6) + 1,4-diethylbenzene (105-05-5) + ortho-diethylbenzene (253185-02-3,135-01-3)

Guidance literature:

for 2h; Yields of byproduct given; Heating;

Reference yield: 10.0%

4-methyl-4-phenylcyclohex-2-enone (17429-36-6) → 1-Methyl-3-ethylbenzene (620-14-4) + 2-Ethyltoluene (611-14-3) + m-diethylbenzene (141-93-5) + 1,4-diethylbenzene (105-05-5) + ortho-diethylbenzene (253185-02-3,135-01-3) + 3-ethyl-o-xylene (933-98-2)

Guidance literature:

With chloranil; Product distribution; 1.) 510 deg C, 12 Torr; 2.) benzene, reflux, 20 h; other conditions investigated;

DOI:10.1002/hlca.19810640319

Reference yield:

ethene (74-85-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → ethylbenzene (100-41-4,27536-89-6) + ortho-diethylbenzene (253185-02-3,135-01-3)

Guidance literature:

With H-MCM-56 zeolite; at 463 ℃; for 20h; under 22502.3 Torr; Gas phase;

DOI:10.1016/j.apcata.2012.07.028

upstream raw materials:

ethyl bromide

1-chloro-2-ethylbenzene

diethyl sulfate

2-ethylphenylmagnesium bromide

Downstream raw materials:

1,2-diethyl-4-nitro-benzene

1,2-diethyl-3,5-dinitro-benzene

(2,3-diethyl-4-nitro-phenyl)-carbamic acid ethyl ester

o-Diethylbenzol-4-sulfonsaeure