Cyclohexane, 1,2,4-trimethyl-, (1alpha,2alpha,4alpha)-

Base Information

• Chemical Name: Cyclohexane, 1,2,4-trimethyl-, (1alpha,2alpha,4alpha)-
• CAS No.: 1678-80-4
• Molecular Formula: C₉H₁₈
• Molecular Weight: 126.242
• DSSTox Substance ID: DTXSID701025624
• Nikkaji Number: J3.575.436I
• Mol file: 1678-80-4.mol

Synonyms:Rel-(1R,2S,4S)-1,2,4-trimethylcyclohexane;Cyclohexane, 1,2,4-trimethyl-, (1.alpha.,2.alpha.,4.alpha.)-;1678-80-4;Cyclohexane, 1,2,4-trimethyl-, (1alpha,2alpha,4alpha)-;starbld0001191;cis-1,2,4-Trimethylcyclohexane;VCJPCEVERINRSG-YIZRAAEISA-N;DTXSID701025624;AKOS006286389;1beta,2beta,4beta-Trimethylcyclohexane;J3.575.436I;(1R,2S,4S)-rel-1,2,4-Trimethylcyclohexane;(1alpha,2alpha,4alpha)-1,2,4-Trimethylcyclohexane;J-010402

Chemical Property of Cyclohexane, 1,2,4-trimethyl-, (1alpha,2alpha,4alpha)-

Chemical Property:

• Melting Point: -77.5°C
• Refractive Index: 1.4300
• Boiling Point: 147.75°C
• Density: 0.7830
• 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:

(1R,2S,4S)-rel-1,2,4-Trimethylcyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC(C(C1)C)C
• Isomeric SMILES: C[C@H]1CC[C@H]([C@H](C1)C)C
• Uses: (1R,2S,4S)-rel-1,2,4-Trimethylcyclohexane is a reagent in the thermal cracking of kerosine. Present in coal-derived liquids light fractions.

Technology Process of Cyclohexane, 1,2,4-trimethyl-, (1alpha,2alpha,4alpha)-

There total 3 articles about Cyclohexane, 1,2,4-trimethyl-, (1alpha,2alpha,4alpha)- 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:

→ cis-1,2,4-trimethylcyclohexane (1678-80-4,2234-75-5,7667-58-5,7667-59-6,7667-60-9)

Guidance literature:

1,2,4-Trimethylbenzol, H2;

DOI:10.1021/ja00770a030

Reference yield:

→ 1-trans-2-trans-4-Trimethyl-cyclohexan (1678-80-4,2234-75-5,7667-58-5,7667-59-6,7667-60-9)

Guidance literature:

1,2,4-Trimethylbenzol, H2;

DOI:10.1021/ja00770a030

Reference yield:

→ 1-cis-2-trans-4-Trimethylcyclohexan (1678-80-4,2234-75-5,7667-58-5,7667-59-6,7667-60-9)

Guidance literature:

1,2,4-Trimethylbenzol, H2;

DOI:10.1021/ja00770a030

Refernces