(1S,2S,4S)-1,2,4-trimethylcyclohexane

Base Information

• Chemical Name: (1S,2S,4S)-1,2,4-trimethylcyclohexane
• CAS No.: 7667-60-9
• Molecular Formula: C₉H₁₈
• Molecular Weight: 126.242
• Hs Code.: 2902199090
• European Community (EC) Number: 689-394-9
• NSC Number: 73967
• Nikkaji Number: J505.062F
• Mol file: 7667-60-9.mol

Synonyms:(1S,2S,4S)-1,2,4-trimethylcyclohexane;1678-80-4;Cis,trans,trans-1,2,4-trimethylcyclohexane;7667-60-9;trans,2,4-Trimethylcyclohexane;VCJPCEVERINRSG-CIUDSAMLSA-N;NSC73967;NSC-73967;r-1, t-2, t-4-trimethylcyclohexane;AKOS006273843;Cyclohexane,2,4-trimethyl-, trans,cis-;1,2,4-Trimethylcyclohexane, cis,trans,trans;(1R,2R,4R)-rel-1,2,4-Trimethylcyclohexane;Cyclohexane,2,4-trimethyl-, (1.alpha.,2.beta.,4.beta.)-

Chemical Property of (1S,2S,4S)-1,2,4-trimethylcyclohexane

Chemical Property:

• Vapor Pressure: 6.69mmHg at 25°C
• Melting Point: -86°C
• Refractive Index: 1.4243
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCC(C(C1)C)C
• Isomeric SMILES: C[C@H]1CC[C@@H]([C@H](C1)C)C
• Uses: (1R,2R,4R)-rel-1,2,4-Trimethylcyclohexane is present in jet fuel-derived liquids light fractions.

Technology Process of (1S,2S,4S)-1,2,4-trimethylcyclohexane

There total 6 articles about (1S,2S,4S)-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:

→ 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

upstream raw materials:

(+/-)-4t-methyl-cyclohexane-1r,2t-dicarboxylic acid

1-Methylen-2β.4β-dimethyl-cyclohexan

isoprene

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