m-Diethylbenzene

Base Information

• Chemical Name: m-Diethylbenzene
• CAS No.: 141-93-5
• Molecular Formula: C10H14
• Molecular Weight: 134.221
• Hs Code.: 2902909090
• European Community (EC) Number: 205-511-4,271-527-3
• NSC Number: 62102
• UNII: ZM2X7I1G8Y
• DSSTox Substance ID: DTXSID1022003
• Nikkaji Number: J5.809B
• Wikidata: Q24816743
• Mol file: 141-93-5.mol

Synonyms:Benzene,m-diethyl- (8CI);1,3-Diethylbenzene;NSC 62102;m-Diethylbenzene;

Chemical Property of m-Diethylbenzene

Chemical Property:

• Appearance/Colour: Colorless liquid with an aromatic odor.
• Vapor Pressure: 1.15mmHg at 25°C
• Melting Point: -84.2oC
• Refractive Index: n20/D 1.496
• Boiling Point: 181.675 °C at 760 mmHg
• Flash Point: 50.556 °C
• PSA: 0.00000
• Density: 0.866 g/cm³
• LogP: 2.81140
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 76

Purity/Quality:

99% min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R10:; R36/37/38:
• Safety Statements: S16:; S26:; S36:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aromatic Solvents
• Canonical SMILES: CCC1=CC(=CC=C1)CC

Technology Process of m-Diethylbenzene

There total 46 articles about m-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: 12.0%

4-methyl-4-phenylcyclohex-2-enone (17429-36-6) → o-xylene (95-47-6) + 1-Methyl-3-ethylbenzene (620-14-4) + 2-Ethyltoluene (611-14-3) + ethylbenzene (100-41-4,27536-89-6) + m-diethylbenzene (141-93-5) + 1,4-diethylbenzene (105-05-5)

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: 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:

ethanol (64-17-5) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → ethylbenzene (100-41-4,27536-89-6) + m-diethylbenzene (141-93-5)

Guidance literature:

With ZSM-5 zeolite Si/Al ratio 100; at 300 ℃; Temperature;

DOI:10.14233/ajchem.2013.13638

upstream raw materials:

ethylbenzene

1,3-diethyl-cyclohexa-1,3-diene

ethyl acetate

benzene

Downstream raw materials:

1,3-diethyl-anthraquinone

2,4-diethyl-benzenesulfonic acid

1,3-divinylbenzene

1,3-diethylcyclohexane

Refernces

• 1、 Xing, Enhui,Shi, Yanchun,Xie, Wenhua,Zhang, Fengmei,Mu, Xuhong,Shu, Xingtian. "Temperature-controlled phase-transfer hydrothermal synthesis of MWW zeolites and their alkylation performances". . p. 29707 - 29717. Retrieved 2018/06/04.
• 2、 Shi, Yanchun,Xing, Enhui,Xie, Wenhua,Zhang, Fengmei,Mu, Xuhong,Shu, Xingtian. "Size-controlled synthesis of MCM-49 zeolites and their application in liquid-phase alkylation of benzene with ethylene". . p. 13420 - 13429. Retrieved 2015/02/19.