Cas no 1005-64-7 ((E)-1-Phenyl-1-butene)

(E)-1-Phenyl-1-butene is an unsaturated aromatic hydrocarbon with the molecular formula C??H??. This compound features a phenyl group attached to a butene chain in the trans (E) configuration, making it a useful intermediate in organic synthesis. Its conjugated double-bond structure enhances reactivity in polymerization and addition reactions, while its aromatic component provides stability. The compound is commonly employed in the production of fine chemicals, pharmaceuticals, and specialty polymers. Its well-defined stereochemistry and high purity make it suitable for controlled reactions, particularly in catalytic processes. (E)-1-Phenyl-1-butene is valued for its predictable reactivity and compatibility with various synthetic methodologies.
(E)-1-Phenyl-1-butene structure
(E)-1-Phenyl-1-butene structure
Product Name:(E)-1-Phenyl-1-butene
CAS No:1005-64-7
MF:C10H12
MW:132.202282905579
MDL:MFCD00048708
CID:192491
PubChem ID:5370622
Update Time:2025-10-30

(E)-1-Phenyl-1-butene Chemical and Physical Properties

Names and Identifiers

    • Benzene,(1E)-1-buten-1-yl-
    • TRANS-1-PHENYL-1-BUTENE
    • (E)-1-Phenyl-1-butene
    • (1E)-1-Butenylbenzene
    • (E)-1-butenylbenzene
    • 1-phenyl-(E)-1-butene
    • benzene,1-butenyl-,(E)
    • trans-but-1-enyl-benzene
    • (E)-But-1-en-1-ylbenzene
    • (E)-β-Ethylstyrene
    • trans-β-ethylstyrene
    • trans-beta-Ethylstyrene
    • benzene,1-butenyl-,(E)-
    • (1E)-1-Buten-1-ylbenzene
    • Benzene, 1-butenyl-
    • [(1E)-but-1-en-1-yl]benzene
    • Benzene, 1-butenyl-, (E)-
    • CS-0439937
    • InChI=1/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h3-9H,2H2,1H3/b7-3
    • [(E)-but-1-enyl]benzene
    • AKOS006272930
    • MPMBRWOOISTHJV-XVNBXDOJSA-N
    • 56264-98-3
    • 1005-64-7
    • Butenylbenzene
    • DTXSID301026549
    • [(E)-but-1-enyl]-benzene
    • 824-90-8
    • (E)-but-1-enylbenzene
    • EINECS 260-079-4
    • (1E)-1-Butenylbenzene #
    • DB-160909
    • G77649
    • 862897-77-6
    • MDL: MFCD00048708
    • Inchi: 1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h3-9H,2H2,1H3/b7-3+
    • InChI Key: MPMBRWOOISTHJV-XVNBXDOJSA-N
    • SMILES: C1(C=CC=CC=1)/C=C/CC

Computed Properties

  • Exact Mass: 132.09400
  • Monoisotopic Mass: 132.0939
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 96.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 0.899±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: -43.1 oC
  • Boiling Point: 198.7 oC
  • Flash Point: 63.6±6.7 oC,
  • Refractive Index: 1.5382 (589.3 nm 25 oC)
  • Solubility: Almost insoluble (0.024 g/l) (25 o C),
  • PSA: 0.00000
  • LogP: 3.10980
  • Vapor Pressure: No data available

(E)-1-Phenyl-1-butene Security Information

(E)-1-Phenyl-1-butene Customs Data

  • HS CODE:2902909090
  • Customs Data:

    China Customs Code:

    2902909090

    Overview:

    2902909090. Other aromatic hydrocarbons. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:2.0%. general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902909090 other aromatic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

(E)-1-Phenyl-1-butene Pricemore >>

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(E)-1-Phenyl-1-butene Related Literature

Additional information on (E)-1-Phenyl-1-butene

(E)-1-Phenyl-1-butene: A Comprehensive Overview

(E)-1-Phenyl-1-butene, also known as trans-1-phenylpropene, is a compound with the CAS number 1005-64-7. This compound is an alkene with a phenyl group attached to the first carbon of a butene chain. The (E) configuration indicates that the higher priority groups on each carbon of the double bond are on opposite sides, giving it a distinct geometric isomerism. This compound is widely studied in organic chemistry due to its unique properties and applications in various fields, including material science, pharmaceuticals, and polymer synthesis.

The structure of (E)-1-Phenyl-1-butene consists of a phenyl ring connected to a butene group via a double bond. The phenyl group contributes to the compound's aromaticity, while the double bond introduces reactivity and potential for polymerization. Recent studies have explored the use of this compound in synthesizing novel materials, such as high-performance polymers with tailored mechanical and thermal properties. For instance, researchers have demonstrated that (E)-1-Phenyl-1-butene can be polymerized under controlled radical polymerization conditions to yield materials with improved tensile strength and thermal stability.

In addition to its role in polymer chemistry, (E)-1-Phenyl-1-butene has gained attention in the pharmaceutical industry as a precursor for bioactive compounds. Its ability to undergo various organic reactions, such as Diels-Alder reactions and Michael additions, makes it a valuable intermediate in drug discovery processes. Recent advancements in asymmetric catalysis have enabled the synthesis of enantiomerically enriched derivatives of this compound, which are being investigated for their potential therapeutic applications.

The synthesis of (E)-1-Phenyl-1-butene typically involves alkylation or coupling reactions of phenyl compounds with alkenes. One notable method is the use of palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura reaction, which allows for efficient formation of the desired product. These methods have been optimized in recent years to improve yield and selectivity, making them more suitable for large-scale production.

From an environmental perspective, the biodegradation and toxicity of (E)-1-Phenyl-1-butene have been studied to assess its impact on ecosystems. Research indicates that this compound exhibits moderate biodegradability under aerobic conditions, with microbial communities capable of breaking it down into less complex compounds. However, further studies are required to fully understand its long-term environmental effects and potential risks.

In conclusion, (E)-1-Phenyl-1-butene is a versatile compound with significant potential in various scientific and industrial applications. Its unique chemical properties and reactivity make it an invaluable tool in organic synthesis, materials science, and pharmacology. As research continues to uncover new uses and improvements in its synthesis and application, this compound is poised to play an even more prominent role in advancing modern chemistry.

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