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

Base Information

• Chemical Name: Cyclohexene, 1-methyl-4-(1-methylethyl)-
• CAS No.: 5502-88-5
• Deprecated CAS: 61585-35-1,33111-45-4
• Molecular Formula: C10H18
• Molecular Weight: 138.2499
• European Community (EC) Number: 226-841-5,214-794-3,249-579-3
• NSC Number: 96749
• UNII: RFR322M42W
• DSSTox Substance ID: DTXSID60863552
• Nikkaji Number: J7.988J
• Wikidata: Q82854461
• Mol file: 5502-88-5.mol

Synonyms:(+)-p-menth-1-ene;p-menth-1-ene

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

Chemical Property:

• 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:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC(CC1)C(C)C

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

There total 138 articles about Cyclohexene, 1-methyl-4-(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:

1-methylcyclohexane hydroperoxide (4952-03-8) + 2,6,6-trimethylbicyclo[3.1.1]heptane (473-55-2,4755-33-3,4795-86-2,4863-59-6,6876-13-7,10281-53-5,33626-25-4,112456-46-9,112456-47-0) → p-menth-1-ene (61585-35-1,5502-88-5,34363-01-4) + n-pentyl methyl ketone (110-43-0) + 1-Methylcyclohexanol (590-67-0) + terpineol (98-55-5,2438-12-2) + pinan-2α-ol (473-54-1,4948-28-1,4948-29-2,18492-55-2,23516-36-1,25926-77-6,35408-04-9,35519-42-7,112574-21-7) + cis-pinane-2-ol (473-54-1,4948-28-1,4948-29-2,18492-55-2,23516-36-1,25926-77-6,35408-04-9,35519-42-7,112574-21-7)

Guidance literature:

at 125 ℃; for 80h; Product distribution; Mechanism; reaction with different catalysts, different reaction times;

Reference yield:

Cumene hydroperoxide (80-15-9) + 2,6,6-trimethylbicyclo[3.1.1]heptane (473-55-2,4755-33-3,4795-86-2,4863-59-6,6876-13-7,10281-53-5,33626-25-4,112456-46-9,112456-47-0) → p-menth-1-ene (61585-35-1,5502-88-5,34363-01-4) + 1-methyl-1-phenylethyl alcohol (617-94-7) + terpineol (98-55-5,2438-12-2) + pinan-2α-ol (473-54-1,4948-28-1,4948-29-2,18492-55-2,23516-36-1,25926-77-6,35408-04-9,35519-42-7,112574-21-7) + cis-pinane-2-ol (473-54-1,4948-28-1,4948-29-2,18492-55-2,23516-36-1,25926-77-6,35408-04-9,35519-42-7,112574-21-7) + acetophenone (98-86-2)

Guidance literature:

at 125 ℃; for 80h; Product distribution; Mechanism; reaction with different catalysts, different reaction times;

Reference yield:

neryl chloride (20536-36-1) → p-menth-1-ene (61585-35-1,5502-88-5,34363-01-4) + dihydromyrcene (2436-90-0) + 2,6-dimethylocta-2(Z),6-diene (2492-22-0) + (E)-3,7-dimethyl-2,6-octadien (2609-23-6)

Guidance literature:

With tri-n-butyl-tin hydride; at 25 ℃; for 24h; under 9750780 Torr; Yield given. Yields of byproduct given;

DOI:10.1016/0022-328X(89)85216-7

upstream raw materials:

(+/-)-menthol

1-p-menthanyl chloride

1-methyl-4-(1-methylethyl)cyclohexanol

D-limonene

Downstream raw materials:

Diacetat des 1,2-Bis-hydroxymethyl-p-menthens-⁽⁵⁾

2-Iodo-4-isopropenyl-1-methyl-cyclohexane

1-p-menthanyl chloride

1ref-Methyl-2-trans-acetonyl-4-trans-isopropyl-cyclohexan