Cyclohexene, 4-methyl-1-(1-methylethyl)-

Base Information

• Chemical Name: Cyclohexene, 4-methyl-1-(1-methylethyl)-
• CAS No.: 500-00-5
• Deprecated CAS: 2230-69-5
• Molecular Formula: C10H18
• Molecular Weight: 138.253
• Hs Code.: 2902199090
• European Community (EC) Number: 207-896-4
• DSSTox Substance ID: DTXSID50862054
• Nikkaji Number: J106.515G
• Wikidata: Q24716505
• Metabolomics Workbench ID: 47690
• Mol file: 500-00-5.mol

Synonyms:p-MENTH-3-ENE;Cyclohexene, 4-methyl-1-(1-methylethyl)-;500-00-5;3-p-Menthene;Menthomenthene;xi-p-Menth-3-ene;delta1-p-Menthene;4-methyl-1-propan-2-ylcyclohexene;4-Methyl-1-(1-methylethyl)cyclohexene;BRN 1850192;EINECS 207-896-4;4-methyl-1-(propan-2-yl)cyclohex-1-ene;3-Menthene;2-05-00-00053 (Beilstein Handbook Reference);menthen;3-para-Menthene;dl-p-Menth-3-ene;.delta.3-p-Menthene;Menthane,didehydro derivative;1-Isopropyl-4-methylcyclohexene;CHEBI:88834;4-Methyl-1-iso-propylcyclohexene;DTXSID50862054;1-Isopropyl-4-methyl-1-cyclohexene;AKOS006272091;1-Isopropyl-4-methyl-1-cyclohexene #;LS-89521;Q24716505

Chemical Property of Cyclohexene, 4-methyl-1-(1-methylethyl)-

Chemical Property:

• Vapor Pressure: 1.69mmHg at 25°C
• Melting Point: 25-26 °C
• Refractive Index: 1.4604 (estimate)
• Boiling Point: 173.5°Cat760mmHg
• Flash Point: 43.3°C
• PSA: 0.00000
• Density: 0.813g/cm³
• LogP: 3.38880
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 138.140850574
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

PARA-MENTH-3-ENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(=CC1)C(C)C

Technology Process of Cyclohexene, 4-methyl-1-(1-methylethyl)-

There total 168 articles about Cyclohexene, 4-methyl-1-(1-methylethyl)- 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: 90.0%

(2-Isopropylidene-5-methyl-cyclohexyl)-triphenyl-phosphonium; bromide (91861-60-8) → 3-p-menthene (500-00-5)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 1h;

DOI:10.1021/jo00195a049

Reference yield: 63.0%

(+)-p-menth-1-ene (1195-31-9,5502-88-5,34363-01-4) → 3-p-menthene (500-00-5)

Guidance literature:

With C₂₈H₁₈Co^(1-)*K⁽¹⁺⁾*2C₄H₁₀O₂; hydrogen; In toluene; at 60 ℃; for 24h; under 7500.75 Torr; chemoselective reaction;

DOI:10.1002/anie.201308967

Reference yield: 21.4%

3,7-dimethyl-oct-6-enal (106-23-0,26489-02-1) → 7-methyl-3-methene-1,6-octadiene (123-35-3) + 1-methyl-4-isopropyl-1,3-cyclohexadiene (99-86-5) + 3,8-p-Menthadien (586-67-4) + 3-p-menthene (500-00-5) + (+/-)-menthone (491-07-6,1074-95-9,1196-31-2,3391-87-5,10458-14-7,14073-97-3,18309-28-9,36977-92-1,117773-78-1,89-80-5,17627-49-5,7786-64-3)

Guidance literature:

With aluminum oxide; carbon dioxide; In hexane; at 190 ℃; Supercritical conditions;

DOI:10.1134/S0036024412120035

upstream raw materials:

oxalyl dichloride

(-)-menthol

ethanol

(1R,2S,5R)-menthyl chloride

Downstream raw materials:

(+/-)-4c-methyl-1-isopropyl-cyclohexane-1r,2t-diol

3,7-dimethyl-1,6-octanediol

terephthalic acid

p-menthane-4-ol

Refernces

• 1、 Pines,Pillai. "-". . p. 2401. Retrieved 1960.
• 2、 Hughes,E.D.,Wilby,J.. "-". . p. 4094 - 4101. Retrieved 1960.
• 3、 -. "STRONGLY LEWIS ACIDIC METAL-ORGANIC FRAMEWORKS FOR CONTINUOUS FLOW CATALYSIS". Paragraph 0166; 0170. . Retrieved 2021/02/26.
• 4、 Pagar, Nitin S.,Deshpande, Raj M.. "Highly efficient rhodium-phosphite catalyzed hydroformylation of camphene and other terpenes". . p. 213 - 219. Retrieved 2018/12/11.