6-Ethyl-1,1,4,4-tetramethyltetralin

Base Information

• Chemical Name: 6-Ethyl-1,1,4,4-tetramethyltetralin
• CAS No.: 80-81-9
• Molecular Formula: C16H24
• Molecular Weight: 216.367
• European Community (EC) Number: 201-310-0
• DSSTox Substance ID: DTXSID7058836
• Nikkaji Number: J20.987B
• Wikidata: Q81988535
• Mol file: 80-81-9.mol

Synonyms:6-Ethyl-1,1,4,4-tetramethyltetralin;80-81-9;6-ethyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;BRN 2442395;EINECS 201-310-0;1,1,4,4-Tetramethyl-6-ethyltetralin;Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-;AI3-23833;1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-6-ethylnaphthalene;6-Ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene;4-05-00-01481 (Beilstein Handbook Reference);NAPHTHALENE, 1,2,3,4-TETRAHYDRO-6-ETHYL-1,1,4,4-TETRAMETHYL-;DTXSID7058836;LS-94963;6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalen;1,1,4,4-tetramethyl-6-ethyl-1,2,3,4-tetrahydronaphthalene

Chemical Property of 6-Ethyl-1,1,4,4-tetramethyltetralin

Chemical Property:

• Vapor Pressure: 0.00738mmHg at 25°C
• Refractive Index: 1.5079 (estimate)
• Boiling Point: 278°C at 760 mmHg
• Flash Point: 118.2°C
• PSA: 0.00000
• Density: 0.879g/cm³
• LogP: 4.59800
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 216.187800766
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

6-Ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=C(C=C1)C(CCC2(C)C)(C)C
• Uses: 6-Ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene is an intermediate used in the synthesis of 1-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (T295405), which is used in the study of temperature dependence of retention index for perfumery compounds on glass capillary column. It is also used in biological studies.

Technology Process of 6-Ethyl-1,1,4,4-tetramethyltetralin

There total 3 articles about 6-Ethyl-1,1,4,4-tetramethyltetralin 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:

2,5-dichloro-2,5-dimethyl hexane (6223-78-5) → 1,1,4,4-tetramethyl-6-ethyl-1,2,3,4-tetrahydronaphthalene (80-81-9)

Guidance literature:

With iron(III) chloride; In ethylbenzene; water;

Reference yield:

2,5-dichloro-2,5-dimethyl hexane (6223-78-5) + ethylbenzene (100-41-4,27536-89-6) → 1,1,4,4-tetramethyl-6-ethyl-1,2,3,4-tetrahydronaphthalene (80-81-9)

Guidance literature:

With iron(III) chloride;

DOI:10.1021/jo01044a022

Reference yield:

→ 1,1,4,4-tetramethyl-6-ethyl-1,2,3,4-tetrahydronaphthalene (80-81-9)

Guidance literature:

Aethylbenzol, 2.5-Dichlor-2.5-dimethylhexan, AlCl3;

upstream raw materials:

2,5-dichloro-2,5-dimethyl hexane

ethylbenzene

Downstream raw materials:

6-ethyl-7-chloromethyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-naphthalene

1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-ethanone

3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-[2]naphthaldehyde

1,1,4,4-Tetramethyl-6-aethyl-7-propionyl-tetralin

Refernces