4,4-Dimethylcyclohexene

Base Information

• Chemical Name: 4,4-Dimethylcyclohexene
• CAS No.: 14072-86-7
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• Hs Code.: 2902199090
• NSC Number: 134990
• UNII: MT2HS4ZTL7
• DSSTox Substance ID: DTXSID00161468
• Nikkaji Number: J110.382B
• Wikidata: Q83029886
• Mol file: 14072-86-7.mol

Synonyms:4,4-DIMETHYLCYCLOHEXENE;14072-86-7;Cyclohexene, 4,4-dimethyl-;4,4-Dimethylcyclohex-1-ene;4,4-Dimethyl-1-cyclohexene;MT2HS4ZTL7;NSC-134990;NSC134990;Cyclohexene,4-dimethyl-;UNII-MT2HS4ZTL7;4,4-Dimethyl cyclohexene;1-Cyclohexene, 4,4-dimethyl-;DTXSID00161468;DRORSPJLYCDESA-UHFFFAOYSA-N;AKOS006281263;NSC 134990;FT-0692360;EN300-314233

Chemical Property of 4,4-Dimethylcyclohexene

Chemical Property:

• Vapor Pressure: 21.1mmHg at 25°C
• Melting Point: -74.47°C
• Refractive Index: 1.4394
• Boiling Point: 117°Cat760mmHg
• Flash Point: 2.7°C
• PSA: 0.00000
• Density: 0.797g/cm³
• LogP: 2.75270
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 98.6

Purity/Quality:

99.5% ^*data from raw suppliers

4,4-Dimethylcyclohexene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC=CC1)C

Technology Process of 4,4-Dimethylcyclohexene

There total 17 articles about 4,4-Dimethylcyclohexene 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: 88.0%

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 4,4-dimethylcyclohexene (14072-86-7)

Guidance literature:

With zirconocene dichloride; tert-butylmagnesium chloride; In diethyl ether; benzene; Ambient temperature;

DOI:10.1016/S0040-4039(01)91032-9

Reference yield:

2,2-dimethyl-1-vinylcyclobutane (108804-60-0) → cis-2-methyl-hepta-1,5-diene (41044-64-8) + 4,4-dimethylcyclohexene (14072-86-7) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + isobutene (115-11-7,15220-85-6)

Guidance literature:

at 280 ℃; under 24.8 Torr; Further byproducts given;

DOI:10.1039/P29870000365

Reference yield:

2,2-dimethyl-1-vinylcyclobutane (108804-60-0) → 4,4-dimethylcyclohexene (14072-86-7) + 2-methyl-hepta-1,6-diene (13643-06-6) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + isobutene (115-11-7,15220-85-6)

Guidance literature:

at 280 ℃; under 24.8 Torr; Further byproducts given;

DOI:10.1039/P29870000365

upstream raw materials:

2-methylhept-6-en-2-ol

4,4-dimethyl-cyclohexanol

1-methyl-3-cyclohexene-1-carboxaldehyde

5,5-dimethyl-1,3-cyclohexadiene

Downstream raw materials:

4,4-Dimethyl-2-phenylselanyl-cyclohexanone

5,5-Dimethyl-2-phenylselanyl-cyclohexanone