Cas no 65405-80-3 (cis-3-Hexen-1-yl Crotonate)

Technical Introduction: cis-3-Hexen-1-yl Crotonate cis-3-Hexen-1-yl crotonate is an ester compound widely utilized in flavor and fragrance formulations due to its fresh, green, and fruity olfactory profile. Its chemical structure combines the unsaturated characteristics of cis-3-hexen-1-ol with crotonic acid, yielding a versatile ingredient with enhanced stability and longevity in applications. This compound is particularly valued for its ability to impart natural, leafy nuances, making it a preferred choice in perfumery and food flavoring. Its low odor threshold ensures efficiency in small concentrations, while its compatibility with other aroma chemicals allows for seamless integration into complex blends. The ester’s consistent purity and reproducibility further support its industrial use.
cis-3-Hexen-1-yl Crotonate structure
cis-3-Hexen-1-yl Crotonate structure
Product Name:cis-3-Hexen-1-yl Crotonate
CAS No:65405-80-3
MF:C10H16O2
MW:168.232843399048
MDL:MFCD00059903
CID:504715
PubChem ID:24901958
Update Time:2026-04-29

cis-3-Hexen-1-yl Crotonate Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,(3Z)-3-hexen-1-yl ester, (2E)-
    • cis-3-Hexen-1-yl Crotonate
    • CROTONIC ACID CIS-3-HEXEN-1-YL ESTER
    • C3 HEXENYL CROTONATE
    • CIS-3-HEXENYL CROTONATE
    • crotonicacidhexenylester
    • Einecs 265-746-3
    • FEMA 3982
    • HEXENYL-CIS-3-CROTONATE
    • MDL: MFCD00059903
    • Inchi: InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4+
    • InChI Key: KITGYVIOYOCIIE-QNMAEOQASA-N
    • SMILES: CC/C=C\CCOC(=O)/C=C/C

Computed Properties

  • Exact Mass: 168.11500
  • Monoisotopic Mass: 168.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 169
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Liquid
  • Density: 0.91?g/mL?at 25?°C(lit.)
  • Boiling Point: 107?°C/25?mmHg(lit.)
  • Flash Point: Fahrenheit: 201.2 ° f
    Celsius: 94 ° c
  • Refractive Index: n20/D 1.455(lit.)
  • PSA: 26.30000
  • LogP: 2.46200
  • FEMA: 3982 | (Z)-3-HEXENYL (E)-2-BUTENOATE
  • Solubility: Not determined

cis-3-Hexen-1-yl Crotonate Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazardous Material Identification: Xi

cis-3-Hexen-1-yl Crotonate Customs Data

  • HS CODE:2916190090
  • Customs Data:

    China Customs Code:

    2916190090

    Overview:

    2916190090 Other unsaturated acyclic monocarboxylic acids(Including its anhydride\Acyl halide,Peroxides and peroxyacids and their derivatives).Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

cis-3-Hexen-1-yl Crotonate Pricemore >>

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Additional information on cis-3-Hexen-1-yl Crotonate

Professional Introduction to cis-3-Hexen-1-yl Crotonate (CAS No. 65405-80-3)

cis-3-Hexen-1-yl Crotonate, with the chemical formula C8H10O2, is a significant compound in the field of organic chemistry and pharmaceutical research. Its CAS number, 65405-80-3, uniquely identifies it in scientific literature and industrial applications. This compound belongs to the family of unsaturated esters, characterized by its conjugated double bonds, which contribute to its unique reactivity and potential biological activities.

The molecular structure of cis-3-Hexen-1-yl Crotonate consists of a hexenyl group linked to a crotonate moiety. The presence of the conjugated system enhances its utility in various chemical transformations, including Michael additions, aldol reactions, and polymerization processes. These reactions are pivotal in synthetic organic chemistry, enabling the construction of more complex molecules with tailored properties.

In recent years, cis-3-Hexen-1-yl Crotonate has garnered attention in the pharmaceutical industry due to its potential as an intermediate in drug synthesis. Its unsaturated backbone allows for modifications that can mimic natural bioactive molecules, making it a valuable building block for medicinal chemists. For instance, researchers have explored its role in developing novel anti-inflammatory agents by leveraging its ability to undergo selective functionalization.

One of the most intriguing aspects of cis-3-Hexen-1-yl Crotonate is its biological activity. Studies have suggested that derivatives of this compound may exhibit properties relevant to neurodegenerative diseases. The conjugated system and the presence of olefinic double bonds enable interactions with biological targets, such as enzymes and receptors, which are critical in disease mechanisms. This has prompted investigations into its potential as a lead compound for therapeutic development.

The synthesis of cis-3-Hexen-1-yl Crotonate typically involves the esterification of crotonic acid with 3-hexene. This reaction can be optimized using various catalysts and conditions to achieve high yields and purity. Advances in green chemistry have also led to the development of more sustainable synthetic routes, reducing waste and energy consumption without compromising efficiency.

Industrial applications of cis-3-Hexen-1-yl Crotonate extend beyond pharmaceuticals. In agrochemicals, for example, it serves as a precursor for specialty chemicals that enhance crop protection agents. Its role in polymer chemistry is equally noteworthy, where it contributes to the development of high-performance materials with improved mechanical and thermal properties.

The latest research on cis-3-Hexen-1-yl Crotonate highlights its potential in material science. Researchers have demonstrated its use in creating functionalized polymers that exhibit unique optical and electronic properties. These materials are being explored for applications in organic electronics, such as flexible displays and solar cells, underscoring the compound's versatility.

In conclusion, cis-3-Hexen-1-yl Crotonate (CAS No. 65405-80-3) is a multifaceted compound with significant implications across multiple scientific disciplines. Its structural features enable diverse chemical transformations, making it indispensable in pharmaceutical synthesis, agrochemical production, and material science. As research continues to uncover new applications and functionalities, this compound is poised to remain a cornerstone in advanced chemical innovation.

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