Cas no 3524-73-0 (5-Methyl-1-hexene)

5-Methyl-1-hexene (CAS 3524-73-0) is a branched-chain alkene with the molecular formula C?H??. This unsaturated hydrocarbon is characterized by its terminal double bond and methyl substitution at the fifth carbon, imparting unique reactivity in polymerization and organic synthesis applications. Its structure makes it a useful comonomer in the production of linear low-density polyethylene (LLDPE), where it enhances mechanical properties such as tensile strength and flexibility. The compound's volatility and low boiling point (~85°C) facilitate handling in industrial processes. Additionally, its selective reactivity in hydroformylation and metathesis reactions makes it valuable in fine chemical synthesis. Storage under inert conditions is recommended to prevent premature polymerization.
5-Methyl-1-hexene structure
5-Methyl-1-hexene structure
Product Name:5-Methyl-1-hexene
CAS No:3524-73-0
MF:C7H14
MW:98.186062335968
MDL:MFCD00039858
CID:84774
PubChem ID:87572379
Update Time:2025-10-28

5-Methyl-1-hexene Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-1-hexene
    • 5-Methyl-1-hexeneneat
    • 5-methylhex-1-ene
    • 3-Methyl-1-hexexe.
    • 5-Methyl-hex-1-en
    • dimethylpentene
    • isoamylethylene
    • D91308
    • NSC 73927
    • JIUFYGIESXPUPL-UHFFFAOYSA-N
    • FT-0692785
    • NSC-73927
    • M0303
    • UNII-D7GF4GV7QR
    • 3524-73-0
    • NS00029809
    • Isoheptene
    • 1-Hexene, 5-methyl-
    • MFCD00039858
    • D7GF4GV7QR
    • NSC73927
    • 68975-47-3
    • DTXSID60188732
    • Q27276211
    • 5-Methyl-1-hexene, >=99.0%
    • AKOS025295204
    • AI3-37713
    • EINECS 222-541-3
    • InChI=1/C7H14/c1-4-5-6-7(2)3/h4,7H,1,5-6H2,2-3H
    • DA-06521
    • MDL: MFCD00039858
    • Inchi: 1S/C7H14/c1-4-5-6-7(2)3/h4,7H,1,5-6H2,2-3H3
    • InChI Key: JIUFYGIESXPUPL-UHFFFAOYSA-N
    • SMILES: C(C)(C)CCC=C
    • BRN: 1731846

Computed Properties

  • Exact Mass: 98.10960
  • Monoisotopic Mass: 98.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 44
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.2
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 0.691?g/mL?at 20?°C(lit.)
  • Melting Point: -124.4°C (estimate)
  • Boiling Point: 85°C
  • Flash Point: -10°C
  • Refractive Index: n20/D 1.396
  • PSA: 0.00000
  • LogP: 2.60860
  • Solubility: Not determined
  • Vapor Pressure: 77.8±0.1 mmHg at 25°C

5-Methyl-1-hexene Security Information

5-Methyl-1-hexene Customs Data

  • HS CODE:2901299090
  • Customs Data:

    China Customs Code:

    2901299090

    Overview:

    2901299090 Other unsaturated acyclic hydrocarbons.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, use to, The volume of packaging container used as gaseous fuel shall be reported, Bulk cargo shall be reported

    Summary:

    2901299090 unsaturated acyclic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

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5-Methyl-1-hexene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Ruthenium phosphide (RuP2) ,  Molybdenum phosphide (MoP) ,  Silica Gel 60 ;  2 h, 600 °C; 600 °C → 450 °C; 15 min, 450 °C
1.2 Reagents: Hydrogen ;  9 h, 100 mbar, 450 °C
Reference
A Highly Stable Bimetallic Transition Metal Phosphide Catalyst for Selective Dehydrogenation of n-Heptane
Stober, Robert; et al, ChemCatChem, 2022, 14(18),

5-Methyl-1-hexene Preparation Products

5-Methyl-1-hexene Suppliers

Amadis Chemical Company Limited
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(CAS:3524-73-0)5-Methyl-1-hexene
Order Number:A1204338
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Quantity:5ml
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:52
Price ($):162.0

5-Methyl-1-hexene Related Literature

Additional information on 5-Methyl-1-hexene

Introduction to 5-Methyl-1-hexene (CAS No. 3524-73-0)

5-Methyl-1-hexene, with the chemical formula C7H14, is an important alkene compound characterized by a branched structure featuring a methyl group on the fifth carbon atom of the hexene chain. This compound, identified by its unique Chemical Abstracts Service (CAS) number 3524-73-0, has garnered significant attention in the field of organic synthesis and industrial applications due to its versatile reactivity and structural properties. As a key intermediate in petrochemical and fine chemical manufacturing, 5-Methyl-1-hexene plays a pivotal role in the production of polymers, fragrances, and pharmaceuticals.

The molecular structure of 5-Methyl-1-hexene consists of a linear hexene backbone with a methyl substituent at the fifth carbon position. This branching imparts distinct physical and chemical properties, making it a valuable building block for various synthetic pathways. The compound exhibits typical alkenic characteristics, including the presence of a carbon-carbon double bond (C=C) that is highly reactive in processes such as polymerization, hydrogenation, and functionalization. Its boiling point, solubility in organic solvents, and thermal stability make it suitable for use in high-purity chemical applications.

In recent years, research into 5-Methyl-1-hexene has been closely linked to advancements in catalytic processes and green chemistry. One notable area of study involves the development of efficient catalytic systems for the selective polymerization of this compound into high-value polyolefins. For instance, recent studies have demonstrated the use of transition metal catalysts, such as zirconocenes and nickel complexes, to produce polymers with tailored molecular weights and distributions. These developments not only enhance the efficiency of polymer production but also contribute to sustainable manufacturing practices by reducing waste and energy consumption.

Moreover, 5-Methyl-1-hexene has found applications in the synthesis of specialty chemicals, including fragrances and pharmaceutical intermediates. Its branched structure allows for diverse functionalization strategies, enabling the introduction of various substituents at different positions along the carbon chain. This flexibility is particularly valuable in pharmaceutical research, where precise molecular architecture is often critical for drug efficacy and bioavailability. For example, derivatives of 5-Methyl-1-hexene have been explored as precursors to nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents.

The industrial production of 5-Methyl-1-hexene typically involves olefin isomerization and cracking processes derived from petroleum refining or bio-based feedstocks. Advances in process optimization have led to more efficient methods for isolating and purifying this compound, ensuring high yields and minimal byproduct formation. Additionally, research into biocatalytic routes has opened new avenues for sustainable production, leveraging enzymatic or microbial systems to generate 5-Methyl-1-hexene from renewable resources.

Recent breakthroughs in computational chemistry have further enhanced our understanding of 5-Methyl-1-hexene's reactivity and potential applications. Molecular modeling studies have identified novel reaction pathways and catalyst systems that could improve its utility in industrial processes. These computational approaches are complemented by experimental investigations into novel derivatives and reaction conditions, pushing the boundaries of what is possible with this versatile compound.

The safety and handling of 5-Methyl-1-hexene are also areas of ongoing research. While it is not classified as a hazardous material under standard regulatory frameworks, proper precautions must be taken to ensure safe handling during storage, transportation, and application. Studies have focused on developing effective containment systems and spill management protocols to mitigate potential risks associated with large-scale industrial use.

In conclusion,5-Methyl-1-hexene (CAS No. 3524-73-0) remains a cornerstone in organic synthesis and industrial chemistry due to its unique structural properties and wide range of applications. From polymer production to pharmaceutical intermediates,5-Methyl-1-hexene continues to be a subject of intense research interest as scientists explore new ways to harness its potential for advanced materials and therapeutic agents. The ongoing development of innovative catalytic systems,green chemistry approaches,and computational methodologies ensures that this compound will remain relevant in shaping future advancements across multiple scientific disciplines.

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Amadis Chemical Company Limited
(CAS:3524-73-0)5-Methyl-1-hexene
A1204338
Purity:99%
Quantity:5ml
Price ($):162.0
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