3,5-Diethyltoluene

Base Information

• Chemical Name: 3,5-Diethyltoluene
• CAS No.: 2050-24-0
• Molecular Formula: C11H16
• Molecular Weight: 148.248
• Hs Code.: 2902909090
• European Community (EC) Number: 218-086-5
• NSC Number: 62141
• UNII: FKS4AY3P83
• DSSTox Substance ID: DTXSID0062133
• Nikkaji Number: J48.033I
• Wikidata: Q27278043
• Mol file: 2050-24-0.mol

Synonyms:3,5-Diethyltoluene;1,3-DIETHYL-5-METHYLBENZENE;2050-24-0;Benzene, 1,3-diethyl-5-methyl-;Toluene, 3,5-diethyl-;1-Methyl-3,5-diethylbenzene;EINECS 218-086-5;NSC 62141;UNII-FKS4AY3P83;FKS4AY3P83;NSC-62141;NSC62141;Toluene,5-diethyl-;Benzene,3-diethyl-5-methyl-;3,5-diethyl-1-methyl-benzene;DTXSID0062133;WLN: 2R C2 E1;AKOS006272398;LS-29832;FT-0690864;I11339;Q27278043

Chemical Property of 3,5-Diethyltoluene

Chemical Property:

• Vapor Pressure: 0.41mmHg at 25°C
• Melting Point: -74.12°C
• Refractive Index: 1.4947
• Boiling Point: 202.8°Cat760mmHg
• Flash Point: 69.8°C
• PSA: 0.00000
• Density: 0.865g/cm³
• LogP: 3.11980
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 148.125200510
• Heavy Atom Count: 11
• Complexity: 94.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC(=C1)C)CC

Technology Process of 3,5-Diethyltoluene

There total 11 articles about 3,5-Diethyltoluene 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: 72.25%

ethyl bromide (74-96-4) + toluene (108-88-3,15644-74-3,16713-13-6) → 1-Methyl-3-ethylbenzene (620-14-4) + 3,5-diethyltoluene (2050-24-0)

Guidance literature:

With aluminium trichloride; -12 degC to RT;

Reference yield:

aluminium trichloride (7446-70-0) + ethanol (64-17-5) + toluene (108-88-3,15644-74-3,16713-13-6) → 1-Methyl-3-ethylbenzene (620-14-4) + 4-methylethylbenzene (622-96-8) + 3,5-diethyltoluene (2050-24-0)

Guidance literature:

at 140 ℃;

Reference yield:

ethyl bromide (74-96-4) + toluene (108-88-3,15644-74-3,16713-13-6) → 4-methylethylbenzene (622-96-8) + 3,5-diethyltoluene (2050-24-0)

Guidance literature:

at 110 - 125 ℃;

upstream raw materials:

isobutyraldehyde

acetone

ethyl bromide

toluene

Downstream raw materials:

1-[2-(3,4-Diethyl-5-methyl-phenyl)-2-oxo-ethyl]-pyridinium; iodide

2-Acetyl-3,5-diethyltoluol

5-Acetyl-2,3-diethyltoluol

2,6-Diacetyl-3,5-diethyltoluol

Refernces

• 1、 Gordon, Bernard,Loftus, James E.. "Delocalized Carbanions: 3,3',5,5'-Tetramethylenebiphenyl Tetraanion, a New Tetraanion". . p. 1618 - 1620. Retrieved 2007/10/02.
• 2、 -. "Process for the preparation of substituted vinylbenzyl chloride". . . Retrieved 2008/06/13.