Cas no 10321-71-8 (4-Methyl-2-pentenoic acid)

4-Methyl-2-pentenoic acid (CAS 6613-44-1) is an unsaturated carboxylic acid with the molecular formula C6H10O2. This compound features a methyl group at the 4-position and a double bond at the 2-position, contributing to its reactivity in organic synthesis. It serves as a versatile intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals. The α,β-unsaturated structure allows for conjugate addition reactions, making it useful in Michael additions and other nucleophilic transformations. Its well-defined purity and stability under controlled conditions ensure consistent performance in synthetic applications. The compound is typically supplied as a clear liquid and should be stored under inert conditions to prevent polymerization or degradation.
4-Methyl-2-pentenoic acid structure
4-Methyl-2-pentenoic acid structure
Product Name:4-Methyl-2-pentenoic acid
CAS No:10321-71-8
MF:C6H10O2
MW:114.142402172089
MDL:MFCD00043804
CID:86378
PubChem ID:87572349
Update Time:2025-05-20

4-Methyl-2-pentenoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-2-pentenoic acid
    • 4-Methyl-2-pentenoic Acid (stabilized with HQ)
    • 2-Pentenoic acid,4-methyl
    • 4-methyl-2-pentenoicaci
    • 4-methylpent-2-en-1-oic acid
    • 4-methylpent-2-enoic acid
    • FEMA 4180
    • trans-4-methyl-2-pentenoic acid
    • 4,4-Dimethyl-2-butenoic acid
    • UNII-664UX09YV9
    • 664UX09YV9
    • FEMA No. 4180, E-
    • (2E)-4-Methyl-2-pentenoic acid #
    • CHEBI:173387
    • InChI=1/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3
    • 2-pentenoic acid, 4-methyl-, (2E)-
    • 16666-43-6
    • 10321-71-8
    • EN300-76533
    • (E)-4-methylpent-2-enoic acid
    • MFCD00043804
    • SCHEMBL43207
    • EN300-312635
    • M0268
    • 4-methyl-pent-2-enoic acid, AldrichCPR
    • J-000906
    • AKOS004908022
    • DTXSID90901012
    • 4-Methyl-2-pentenoic acid, (2E)-
    • (2E)-4-methylpent-2-enoic acid
    • CS-0206284
    • trans-4-methyl-pent-2-enoic acid
    • 0QP1933PTD
    • EINECS 233-706-4
    • 4-methyl-2E-pentenoic acid
    • 3-isopropyl acrylic acid
    • LMFA01020112
    • Q27237114
    • (2E)-4-Methyl-2-pentenoic acid
    • (E)-4-Methyl-2-pentenoic acid
    • D91297
    • NoName_60
    • UNII-0QP1933PTD
    • MDL: MFCD00043804
    • Inchi: 1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+
    • InChI Key: QAOXMQCWUWZZNC-ONEGZZNKSA-N
    • SMILES: OC(/C=C/C(C)C)=O

Computed Properties

  • Exact Mass: 114.06800
  • Monoisotopic Mass: 114.06808
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 103
  • 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
  • Surface Charge: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: Liquid
  • Density: 0.9589 g/cm3 (16 oC)
  • Melting Point: 100.5-101.0 oC (ligroine )
  • Boiling Point: 212°C(lit.)
  • Flash Point: 106.0±9.6 oC,
  • Refractive Index: 1.46689
  • Solubility: Slightly soluble (5.4 g/l) (25 o C),
  • Water Partition Coefficient: Slightly soluble in water. Soluble in acetone, ether, ethanol.
  • PSA: 37.30000
  • LogP: 1.28320
  • FEMA: 4180 | 4-METHYLPENT-2-ENOIC ACID
  • Solubility: Not available
  • Vapor Pressure: 0.1±0.8 mmHg at 25°C

4-Methyl-2-pentenoic acid Security Information

4-Methyl-2-pentenoic acid 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%

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4-Methyl-2-pentenoic acid Related Literature

Additional information on 4-Methyl-2-pentenoic acid

Introduction to 4-Methyl-2-pentenoic acid (CAS No. 10321-71-8)

4-Methyl-2-pentenoic acid, with the chemical formula C?H??O?, is a significant compound in the field of organic chemistry and pharmaceutical research. Its CAS number, 10321-71-8, uniquely identifies it in scientific literature and databases, underscoring its importance in various applications. This compound is an unsaturated carboxylic acid, characterized by a double bond in its pentene backbone, which lends it unique reactivity and potential utility in synthetic chemistry.

The structural motif of 4-Methyl-2-pentenoic acid consists of a methyl group at the fourth carbon and a carboxylic acid functional group at the second carbon of the pentene chain. This specific arrangement imparts distinct chemical properties, making it a valuable intermediate in the synthesis of more complex molecules. The presence of both a double bond and a carboxylic acid group allows for diverse transformations, including addition reactions, oxidation, and esterification, which are pivotal in drug development and material science.

In recent years, 4-Methyl-2-pentenoic acid has garnered attention for its role in the synthesis of bioactive compounds. For instance, researchers have explored its utility in constructing heterocyclic frameworks, which are prevalent in many pharmaceuticals. The double bond can be selectively functionalized to introduce nitrogen or oxygen-containing heterocycles, expanding its applications in medicinal chemistry. Additionally, the compound’s ability to undergo Michael additions and aldol reactions makes it a versatile building block for constructing complex molecular architectures.

One of the most intriguing aspects of 4-Methyl-2-pentenoic acid is its potential application in polymer chemistry. The unsaturated nature of the molecule allows for polymerization reactions, leading to the formation of polyenes with unique properties. These polymers have shown promise in various industrial applications, including coatings and adhesives. Furthermore, the incorporation of functional groups derived from 4-Methyl-2-pentenoic acid into polymer chains can enhance material performance, such as thermal stability or biodegradability.

Recent studies have also highlighted the role of 4-Methyl-2-pentenoic acid in enzymatic processes. The compound has been investigated as a substrate or inhibitor for certain enzymes involved in metabolic pathways. Its structural features make it an interesting candidate for modulating enzyme activity, which could have implications in therapeutic interventions. For example, derivatives of 4-Methyl-2-pentenoic acid have been explored as potential scaffolds for enzyme inhibitors targeting inflammatory pathways.

The synthesis of 4-Methyl-2-pentenoic acid itself is an area of active research. Traditional methods often involve catalytic dehydrogenation or oxidation of more readily available precursors. However, advancements in green chemistry have led to the development of more sustainable routes, such as biocatalytic synthesis using engineered microorganisms. These approaches not only improve yield and selectivity but also reduce environmental impact, aligning with global efforts toward sustainable chemical manufacturing.

In conclusion,4-Methyl-2-pentenoic acid (CAS No. 10321-71-8) is a multifaceted compound with broad applications across organic synthesis, pharmaceutical development, and materials science. Its unique structural features enable diverse chemical transformations, making it a valuable asset for researchers seeking to develop novel bioactive molecules or advanced materials. As scientific understanding continues to evolve,4-Methyl-2-pentenoic acid is likely to remain at the forefront of innovation in these fields.

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