1,2,4-Trimethylcyclohexane

Base Information

• Chemical Name: 1,2,4-Trimethylcyclohexane
• CAS No.: 2234-75-5
• Molecular Formula: C9H18
• Molecular Weight: 126.242
• Hs Code.: 2902199090
• European Community (EC) Number: 218-783-4,689-394-9,689-399-6
• NSC Number: 18907
• DSSTox Substance ID: DTXSID60862883
• Nikkaji Number: J100.552I
• Metabolomics Workbench ID: 5330
• Mol file: 2234-75-5.mol

Synonyms:1,2,4-trimethylcyclohexane

Chemical Property of 1,2,4-Trimethylcyclohexane

Chemical Property:

• Vapor Pressure: 6.69mmHg at 25°C
• Melting Point: -86.3°C
• Refractive Index: n20/D 1.433(lit.)
• Boiling Point: 143.5°Cat760mmHg
• Flash Point: 27.9°C
• PSA: 0.00000
• Density: 0.758g/cm³
• LogP: 3.07860
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 126.140850574
• Heavy Atom Count: 9
• Complexity: 86

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2,4-Trimethylcyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,N
• Hazard Codes: F,Xn,N
• Statements: 11-22-36-50/53
• Safety Statements: 9-16-26-29-33-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCC(C(C1)C)C

Technology Process of 1,2,4-Trimethylcyclohexane

There total 24 articles about 1,2,4-Trimethylcyclohexane 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:

aluminium trichloride (7446-70-0) + propylcyclohexane (1678-92-8) → 1,1,4-trimethylcyclohexane (7094-27-1) + 1,2,4-trimethylcyclohexane (2234-75-5) + 1-cis-3-cis-5-Trimethylcyclohexan (1795-27-3) + 1,1,3-trimethylcyclohexane (3073-66-3,150927-19-8,150927-30-3)

Guidance literature:

at 100 ℃; Gleichgewichtsgemisch;

Reference yield:

methane (34557-54-5,27936-85-2) → Isobutane (75-28-5,40921-86-6) + methylbutane (78-78-4) + 1,2-Dimethyl-cyclohexane (583-57-3) + cis-1,3-dimethylcyclohexane (638-04-0) + 1,2,4-trimethylcyclohexane (2234-75-5) + 1,3,5-trimethylcyclohexane (1839-63-0) + trans-1,3-dimethylcyclohexane (2207-03-6) + methyl cyclohexane (82166-21-0) + 1,1,3-trimethylcyclohexane (3073-66-3,150927-19-8,150927-30-3)

Guidance literature:

methane; With aluminum tri-bromide; sodium bromide; at 110 ℃; for 2h; Electrolysis;

at 200 ℃; for 0.5h;

Reference yield:

pentane (109-66-0,8031-35-4,9078-70-0) → 1,1,2-trimethylcyclohexane (7094-26-0) + 1,2,4-trimethylcyclohexane (2234-75-5) + 1-Ethyl-2,3-dimethylcyclohexan (7058-05-1) + 1,2,3,5-tetramethyl-cyclohexane (3726-36-1)

Guidance literature:

With aluminum tri-bromide; carbon tetrabromide; In various solvent(s); at 20 ℃; for 0.5h; Further Variations:; Reagents; Product distribution;

DOI:10.1023/A:1009529302679

upstream raw materials:

n-butylcyclopentane

1,2,4-Trimethylbenzene

2,4,5-trimethylphenol

1,2,3,3-Tetramethylcyclopentene

Downstream raw materials:

1,1-dimethylcyclohexane

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