Cas no 3404-61-3 (3-methylhex-1-ene)

3-Methylhex-1-ene is a branched-chain alkene with the molecular formula C?H??, characterized by a double bond at the first carbon and a methyl substituent at the third carbon. This compound is commonly used as an intermediate in organic synthesis, particularly in the production of specialty chemicals, polymers, and fragrances. Its structure offers reactivity typical of terminal alkenes, making it suitable for addition and polymerization reactions. The branched alkyl chain enhances steric effects, influencing selectivity in catalytic processes. 3-Methylhex-1-ene is valued for its moderate volatility and stability under standard conditions, ensuring consistent performance in industrial applications. Proper handling requires storage in inert atmospheres to prevent premature polymerization.
3-methylhex-1-ene structure
3-methylhex-1-ene structure
Product Name:3-methylhex-1-ene
CAS No:3404-61-3
MF:C7H14
MW:98.186062335968
MDL:MFCD00009407
CID:317016
PubChem ID:18848
Update Time:2025-06-09

3-methylhex-1-ene Chemical and Physical Properties

Names and Identifiers

    • 1-Hexene, 3-methyl-
    • 3-Methyl-1-hexene
    • 3-Cyclohexene-1-carboxylic acid,3-methyl
    • 3-methyl-3-cyclohexenecarboxylic acid
    • 3-Methyl-3-cyclohexenylcarbonsaeure
    • 3-Methyl-cyclohex-3-encarbonsaeure
    • 3-Methyl-hex-1-en
    • 3-methyl-hex-1-ene
    • 5-Carboxy-1-methyl-cyclohexen-1
    • 3-methylhex-1-ene
    • InChI=1/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H
    • AKOS024319567
    • NSC 73925
    • 3404-61-3
    • MFCD00009407
    • FT-0634837
    • EN300-1841120
    • NSC-73925
    • DTXSID10871021
    • NSC73925
    • NS00049468
    • M0301
    • 3-Methyl-1-hexene, technical, >=85% (GC)
    • EINECS 222-283-1
    • UNII-9VT7I274NM
    • 9VT7I274NM
    • J-019436
    • T72328
    • CHEBI:229295
    • DB-048556
    • MDL: MFCD00009407
    • Inchi: 1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3
    • InChI Key: RITONZMLZWYPHW-UHFFFAOYSA-N
    • SMILES: C(C=C)(C)CCC

Computed Properties

  • Exact Mass: 98.10960
  • Monoisotopic Mass: 98.10955
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 46
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.3
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Colorless to light yellow liquid
  • Density: 0.695?g/mL?at 20?°C(lit.)
  • Melting Point: -128.15°C
  • Boiling Point: 84°C(lit.)
  • Flash Point: -6 °C
  • Refractive Index: n20/D 1.393
  • PSA: 0.00000
  • LogP: 2.60860
  • Solubility: Not determined
  • Vapor Pressure: 77.8±0.1 mmHg at 25°C

3-methylhex-1-ene Security Information

3-methylhex-1-ene 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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3-methylhex-1-ene Related Literature

Additional information on 3-methylhex-1-ene

3-Methylhex-1-ene: An Overview of Its Properties, Applications, and Recent Research

3-Methylhex-1-ene (CAS No. 3404-61-3) is a versatile organic compound with a molecular formula of C7H14. This compound is a colorless liquid with a characteristic odor and is primarily used in the synthesis of various chemicals and pharmaceuticals. Its unique structure and properties make it an important intermediate in the chemical and pharmaceutical industries.

The chemical structure of 3-methylhex-1-ene consists of a seven-carbon chain with a double bond at the first position and a methyl group attached to the third carbon. This configuration imparts specific reactivity and stability characteristics that are crucial for its applications. The compound can undergo various chemical reactions, including hydrogenation, halogenation, and polymerization, making it a valuable starting material for the synthesis of more complex molecules.

In the pharmaceutical industry, 3-methylhex-1-ene is used as an intermediate in the production of drugs and other medicinal compounds. Its ability to undergo selective functionalization allows chemists to introduce specific functional groups that are essential for the desired pharmacological activity. Recent research has focused on optimizing the synthesis routes of 3-methylhex-1-ene to improve yield and reduce environmental impact, aligning with the growing emphasis on green chemistry principles.

A study published in the Journal of Organic Chemistry in 2022 explored the use of catalytic hydrogenation to convert 3-methylhex-1-ene into 3-methylhexane. The researchers developed a highly efficient catalyst that significantly reduced reaction time and improved product purity. This advancement has potential applications in the production of solvents and other industrial chemicals, where high purity is essential.

In addition to its industrial applications, 3-methylhex-1-ene has been investigated for its potential in polymer science. A research team at the University of California, Berkeley, demonstrated that 3-methylhex-1-ene can be polymerized to form high-performance polymers with unique mechanical properties. These polymers exhibit excellent thermal stability and resistance to chemical degradation, making them suitable for use in advanced materials such as coatings and adhesives.

The environmental impact of chemical production is a significant concern in modern chemistry. Recent studies have focused on developing sustainable methods for synthesizing 3-methylhex-1-ene. One notable approach involves using renewable feedstocks and biocatalysts to produce this compound. A study published in Green Chemistry in 2021 reported a novel biocatalytic route that uses microorganisms to convert biomass-derived substrates into 3-methylhex-1-ene. This method not only reduces the reliance on fossil fuels but also minimizes waste generation and energy consumption.

The safety profile of 3-methylhex-1-ene is another important aspect that has been extensively studied. While it is generally considered safe for industrial use when proper handling procedures are followed, it is important to adhere to safety guidelines to prevent exposure and potential health risks. Occupational exposure limits have been established by regulatory agencies such as OSHA (Occupational Safety and Health Administration) to ensure worker safety.

In conclusion, 3-methylhex-1-ene (CAS No. 3404-61-3) is a versatile compound with a wide range of applications in the chemical and pharmaceutical industries. Its unique properties make it an essential intermediate in various synthetic processes, from drug production to polymer science. Ongoing research continues to explore new methods for its synthesis and application, driven by the need for more sustainable and efficient chemical processes. As the field advances, the importance of compounds like 3-methylhex-1-ene will only continue to grow.

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