Cas no 16789-51-8 (3-Ethyl-3-hexene)

3-Ethyl-3-hexene is an unsaturated hydrocarbon with the molecular formula C8H16, featuring a double bond at the third carbon position and an ethyl substituent. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the production of specialty chemicals, polymers, and fragrances. Its structure allows for selective functionalization, making it valuable in catalytic processes such as hydrogenation or oxidation. The compound's defined molecular geometry and reactivity profile contribute to its utility in controlled synthetic applications. It is typically handled under inert conditions due to its sensitivity to air and moisture. Suitable for research and industrial use, 3-Ethyl-3-hexene offers a balance of stability and reactivity for targeted chemical transformations.
3-Ethyl-3-hexene structure
3-Ethyl-3-hexene structure
Product Name:3-Ethyl-3-hexene
CAS No:16789-51-8
MF:C8H16
MW:112.212642669678
CID:198171
PubChem ID:140138
Update Time:2025-10-19

3-Ethyl-3-hexene Chemical and Physical Properties

Names and Identifiers

    • 3-Hexene, 3-ethyl-
    • 3-ETHYL-3-HEXENE
    • 3-ethylhex-3-ene
    • 3-Aethyl-hex-3-en
    • 3-ethyl-hex-3-ene
    • 3-Ethylhexen-3
    • 3-Hexene,3-ethyl
    • 3-Propyliden-pentan
    • E0267
    • ethylhexene
    • (C2H5)2C=CHC2H5
    • 3-hexene,3-ethyl-
    • 3-Hexene, 3-ethyl
    • MFCD00059249
    • 16789-51-8
    • AUJLDZJNMXNESO-UHFFFAOYSA-N
    • FT-0692149
    • DTXSID70168424
    • 3-Ethyl-3-hexene
    • Inchi: 1S/C8H16/c1-4-7-8(5-2)6-3/h7H,4-6H2,1-3H3
    • InChI Key: AUJLDZJNMXNESO-UHFFFAOYSA-N
    • SMILES: C(=C/CC)(/CC)\CC

Computed Properties

  • Exact Mass: 112.12500
  • Monoisotopic Mass: 112.125
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 64.1
  • 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: 3.6
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.73
  • Melting Point: -103.01°C (estimate)
  • Boiling Point: 116 °C
  • Flash Point: Not available
  • Refractive Index: 1.4160
  • PSA: 0.00000
  • LogP: 3.14280
  • Solubility: Not determined
  • Vapor Pressure: 22.1±0.1 mmHg at 25°C

3-Ethyl-3-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%

3-Ethyl-3-hexene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E167890-100mg
3-Ethyl-3-hexene
16789-51-8
100mg
$207.00 2023-05-18
TRC
E167890-500mg
3-Ethyl-3-hexene
16789-51-8
500mg
$ 800.00 2023-09-07
TRC
E167890-1g
3-Ethyl-3-hexene
16789-51-8
1g
$ 1315.00 2022-06-05
TRC
E167890-1000mg
3-Ethyl-3-hexene
16789-51-8
1g
$1590.00 2023-05-18

3-Ethyl-3-hexene Related Literature

Additional information on 3-Ethyl-3-hexene

3-Ethyl-3-hexene: A Comprehensive Overview

3-Ethyl-3-hexene, also known by its CAS number 16789-51-8, is an organic compound that has garnered significant attention in the fields of chemistry and materials science. This compound is a type of alkene, characterized by its double bond between two carbon atoms. The structure of 3-Ethyl-3-hexene consists of a six-carbon chain with an ethyl group attached to the third carbon, creating a unique branching pattern that influences its chemical properties and reactivity.

The compound's IUPAC name, 3-Ethylhex-3-ene, reflects its structural composition. The presence of the double bond at the third position makes it a conjugated diene, which plays a crucial role in its ability to undergo various chemical reactions. Recent studies have highlighted the potential of 3-Ethylhex-3-ene in polymer synthesis, where its ability to form stable bonds contributes to the development of advanced materials with enhanced mechanical properties.

In terms of physical properties, 3-Ethylhex-3-ene is typically a colorless liquid at room temperature, with a boiling point of approximately 60°C. Its density is slightly lower than water, making it suitable for use in certain industrial applications where low viscosity and high volatility are desirable. The compound's solubility in organic solvents is another key feature that has been leveraged in various chemical processes.

The synthesis of 3-Ethylhex-3-ene can be achieved through several methods, including elimination reactions and catalytic hydrogenation. Recent advancements in catalytic systems have enabled more efficient production processes, reducing energy consumption and minimizing by-products. These improvements have made 16789-51-8 more accessible for commercial use across various industries.

3-Ethylhex-3-ene finds applications in the production of specialty chemicals, such as surfactants and plasticizers. Its ability to act as a precursor for more complex molecules has made it invaluable in the pharmaceutical and agrochemical sectors. For instance, researchers have explored its role in the synthesis of bioactive compounds that exhibit potential anti-inflammatory and antioxidant properties.

In the context of environmental chemistry, recent studies have focused on the biodegradation pathways of 16789-51-8. Understanding how this compound breaks down in natural environments is crucial for assessing its environmental impact and developing sustainable practices for its use and disposal.

The versatility of 3-Ethylhex-3-ene extends to its use as an intermediate in the production of high-performance polymers. By incorporating this compound into polymer formulations, scientists have been able to create materials with improved thermal stability and resistance to UV degradation. These advancements are particularly relevant in the automotive and aerospace industries, where durable materials are essential.

In conclusion, 3-Ethylhex-3-ene, or CAS number 16789-51-8, is a multifaceted compound with a wide range of applications across various scientific domains. Its unique chemical structure and reactivity continue to drive innovation in material science, pharmaceuticals, and environmental chemistry. As research into this compound progresses, it is anticipated that new discoveries will further enhance its utility and contribute to sustainable technological advancements.

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