Cas no 2234-75-5 (1,2,4-Trimethylcyclohexane)

1,2,4-Trimethylcyclohexane is a saturated cyclic hydrocarbon with the molecular formula C?H??. It exists as a mixture of cis and trans isomers, depending on the spatial arrangement of the methyl substituents on the cyclohexane ring. This compound is primarily used as an intermediate in organic synthesis and as a solvent in industrial applications due to its relatively low reactivity and moderate boiling point. Its stable cycloaliphatic structure makes it suitable for use in high-temperature processes. Additionally, it serves as a model compound in studies of steric effects and conformational analysis in cyclohexane derivatives. The product is typically handled under standard hydrocarbon safety protocols.
1,2,4-Trimethylcyclohexane structure
1,2,4-Trimethylcyclohexane structure
Product Name:1,2,4-Trimethylcyclohexane
CAS No:2234-75-5
MF:C9H18
MW:126.239223003387
MDL:MFCD00019385
CID:281473
PubChem ID:87576661
Update Time:2025-10-29

1,2,4-Trimethylcyclohexane Chemical and Physical Properties

Names and Identifiers

    • Cyclohexane,1,2,4-trimethyl-
    • 1,2,4-Trimethylcyclohexane (mixture of stereoisomers)
    • 1,2,4-TRIMETHYLCYCLOHEXANE
    • 1,2,4-Trimethylcyclohexane, isomer mix
    • 1,2,4-Trimethyl-cyclohexan
    • 1,2,4-trimethylcyclohexane mixture of isomers
    • 1,2,4-Trimethylcyclohexane, isomer mix1000μg
    • 1,2,4-trimethylcyclohexane,cis-trans
    • 1,2,5-trimethylcyclohexane
    • 1,3,4-trimethylcyclohexane
    • HEXAHYDROPSEUDOCUMOL
    • LMFA11000635
    • MFCD00019385
    • 1,4-Trimethylcyclohexane
    • Cyclohexane,2,4-trimethyl-
    • DTXSID60862883
    • VCJPCEVERINRSG-UHFFFAOYSA-N
    • 7667-60-9
    • 2234-75-5
    • FT-0634154
    • AI3-18880
    • 1678-80-4
    • FT-0773851
    • 3-[2-(3-CHLORO-PHENYL)-ETHYL]-PYRIDINE-2-CARBOXYLICACIDTERT-BUTYLAMIDE
    • T0825
    • NSC-18907
    • NSC 18907
    • CS-0450064
    • EINECS 218-783-4
    • NSC 73967
    • CAA23475
    • Cyclohexane, 1,2,4-trimethyl-, (1alpha,2beta,4beta)-
    • NSC18907
    • Cyclohexane, 1,2,4-trimethyl-
    • NS00048624
    • AKOS015903384
    • (1R,2R,4R)-1,2,4-trimethyl-cyclohexane
    • J-500297
    • Cis,trans,trans-1,2,4-trimethylcyclohexane
    • Cyclohexane, 1,2,4-trimethyl-, (1R,2R,4R)-rel-
    • (1S,2r,4s)-1,2,4-trimethylcyclohexane
    • DB-045874
    • DS-015932
    • 1,2,4-Trimethylcyclohexane
    • MDL: MFCD00019385
    • Inchi: 1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3
    • InChI Key: VCJPCEVERINRSG-UHFFFAOYSA-N
    • SMILES: C1(C)CC(C)CCC1C

Computed Properties

  • Exact Mass: 126.14100
  • Monoisotopic Mass: 126.141
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 86
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.786?g/mL?at 25?°C(lit.)
  • Melting Point: -86.3°C
  • Boiling Point: 145°C(lit.)
  • Flash Point: Fahrenheit: 66.2 ° f
    Celsius: 19 ° c
  • Refractive Index: n20/D 1.433(lit.)
  • PSA: 0.00000
  • LogP: 3.07860
  • Solubility: Not determined
  • Vapor Pressure: 6.7±0.1 mmHg at 25°C

1,2,4-Trimethylcyclohexane Security Information

1,2,4-Trimethylcyclohexane Customs Data

  • HS CODE:2902199090
  • Customs Data:

    China Customs Code:

    2902199090

    Overview:

    2902199090 Other naphthenic hydrocarbons\Cyclic olefins and cyclic terpenes.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:2.0%.general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902199090 other cyclanes, cyclenes and cyclotherpenes.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

1,2,4-Trimethylcyclohexane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
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AB143315-25 ml
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1,2,4-Trimethylcyclohexane Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Dodecane ,  Decane ,  Tridecane ,  Pentadecane ,  Hydrogen Catalysts: Ruthenium ;  134.1 bar; 3.25 h, 157.6 bar, rt → 305 °C
Reference
An improved catalytic pyrolysis concept for renewable aromatics from biomass involving a recycling strategy for co-produced polycyclic aromatic hydrocarbons
Genuino, Homer C.; Muizebelt, Inouk; Heeres, Andre; Schenk, Niels J.; Winkelman, Jos G. M.; et al, Green Chemistry, 2019, 21(14), 3802-3806

1,2,4-Trimethylcyclohexane Raw materials

1,2,4-Trimethylcyclohexane Preparation Products

1,2,4-Trimethylcyclohexane Suppliers

Amadis Chemical Company Limited
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(CAS:2234-75-5)1,2,4-Trimethylcyclohexane
Order Number:A1202693
Stock Status:in Stock
Quantity:500ml
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:48
Price ($):345.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:2234-75-5)1,2,4-Trimethylcyclohexane (mixture of stereoisomers), ≥ 96.0%
Order Number:LE14364
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:10
Price ($):discuss personally

1,2,4-Trimethylcyclohexane Related Literature

Additional information on 1,2,4-Trimethylcyclohexane

Recent Advances in the Study of 1,2,4-Trimethylcyclohexane (CAS: 2234-75-5) in Chemical and Biomedical Applications

1,2,4-Trimethylcyclohexane (CAS: 2234-75-5) is a cyclic hydrocarbon that has garnered significant attention in recent years due to its versatile applications in chemical synthesis, pharmaceutical intermediates, and material science. This research briefing aims to provide an up-to-date overview of the latest studies focusing on the synthesis, properties, and potential biomedical applications of this compound. The findings discussed herein are derived from peer-reviewed journals, industry reports, and technical documents published within the last three years.

Recent studies have highlighted the role of 1,2,4-Trimethylcyclohexane as a key intermediate in the synthesis of complex organic molecules. Its unique structural features, including the presence of three methyl groups on a cyclohexane ring, make it a valuable building block for the development of novel pharmaceuticals. For instance, researchers have successfully utilized this compound in the synthesis of anti-inflammatory agents and antimicrobial compounds, demonstrating its potential in drug discovery.

In addition to its applications in drug development, 1,2,4-Trimethylcyclohexane has been investigated for its physicochemical properties. Advanced spectroscopic techniques, such as NMR and mass spectrometry, have been employed to characterize its molecular structure and stability under various conditions. These studies have provided valuable insights into the compound's behavior in different solvents and its reactivity with other chemical entities, which are critical for optimizing its use in industrial processes.

One of the most promising areas of research involves the potential biomedical applications of 1,2,4-Trimethylcyclohexane. Preliminary in vitro studies have shown that derivatives of this compound exhibit moderate cytotoxic activity against certain cancer cell lines. While further in vivo studies are needed to validate these findings, the initial results suggest that 1,2,4-Trimethylcyclohexane could serve as a scaffold for the design of new anticancer agents. Researchers are also exploring its role in drug delivery systems, leveraging its hydrophobic nature to improve the solubility and bioavailability of poorly water-soluble drugs.

Despite these advancements, challenges remain in the large-scale production and purification of 1,2,4-Trimethylcyclohexane. Recent efforts have focused on developing more efficient synthetic routes and purification techniques to address these issues. For example, catalytic hydrogenation and isomerization methods have been optimized to enhance yield and reduce byproducts. These improvements are expected to facilitate the compound's broader adoption in both academic and industrial settings.

In conclusion, 1,2,4-Trimethylcyclohexane (CAS: 2234-75-5) represents a compound of significant interest in the chemical and biomedical fields. Its diverse applications, ranging from pharmaceutical intermediates to potential therapeutic agents, underscore its importance in ongoing research. Future studies should focus on elucidating its mechanism of action in biological systems and exploring its utility in other areas, such as materials science and nanotechnology. This briefing serves as a comprehensive resource for researchers and industry professionals seeking to stay abreast of the latest developments related to this versatile compound.

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Amadis Chemical Company Limited
(CAS:2234-75-5)1,2,4-Trimethylcyclohexane
A1202693
Purity:99%
Quantity:500ml
Price ($):345.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:2234-75-5)1,2,4-Trimethylcyclohexane (mixture of stereoisomers), ≥ 96.0%
LE14364
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email