Cas no 21651-12-7 ((2E)-2,4-Pentadienoic Acid)

(2E)-2,4-Pentadienoic Acid structure
(2E)-2,4-Pentadienoic Acid structure
Product Name:(2E)-2,4-Pentadienoic Acid
CAS No:21651-12-7
MF:C5H6O2
MW:98.0999417304993
MDL:MFCD00014017
CID:250094
PubChem ID:642034
Update Time:2025-07-18

(2E)-2,4-Pentadienoic Acid Chemical and Physical Properties

Names and Identifiers

    • (2E)-2,4-Pentadienoic Acid
    • (2E)-2,4-Pentadienoi
    • 2,4-Pentadienoic acid,(2E)-
    • (2E)-Penta-2,4-dienoic acid
    • 1-carboxy butadiene
    • 2,3-Pentadienoic acid
    • Penta-2,3-diensaeure
    • penta-2,4-dienoic acid
    • pentadienoic acid
    • (E)-1,3-Butadiene-1-carboxylic acid
    • trans-1-Carboxybutadiene
    • trans-2,4-Pentadienoic acid
    • trans-2,4-Pentadienoicacid
    • LMFA01030099
    • butadiene-1-carboxylic acid
    • NSC 16628
    • CHEBI:35964
    • (E)-penta-2,4-dienoic acid
    • but-1,3-diene-1-carboxylic acid
    • 1-Carboxybutadiene
    • BCP21342
    • Penta-2,4-dienoicacid
    • beta-vinyl acrylic acid
    • 2,4-Pentadienoic acid
    • BP-21439
    • (E)-2,4-Pentadienoic acid
    • SDVVLIIVFBKBMG-ONEGZZNKSA-N
    • 2,4-Pentadienoic acid, >=97.0% (T)
    • Q27117106
    • 626-99-3
    • .alpha.,.gamma.-Pentadienoic acid
    • AI3-28013
    • AS-0192
    • W-200033
    • InChI=1/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3
    • EINECS 210-976-1
    • 21651-12-7
    • C5:2n-1,3
    • CS-0199455
    • bet.-Vinylacrylic acid
    • CHEBI:37331
    • 1,3-Butadiene-1-carboxylic acid
    • (2E)-penta-2, 4-dienoic acid
    • AKOS015919372
    • .beta.-Vinylacrylic acid
    • MFCD00014017
    • DTXSID401309803
    • (E)-1,3-Butadiene-1-carboxylic Acid; trans-1-Carboxybutadiene; trans-2,4-Pentadienoic Acid;
    • G77393
    • DB-257531
    • MDL: MFCD00014017
    • Inchi: 1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+
    • InChI Key: SDVVLIIVFBKBMG-ONEGZZNKSA-N
    • SMILES: OC(/C=C/C=C)=O

Computed Properties

  • Exact Mass: 98.03680
  • Monoisotopic Mass: 98.036779430g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • 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
  • XLogP3: 1.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.039
  • Melting Point: 72 oC
  • Boiling Point: 215 oC
  • Flash Point: 121 oC
  • PSA: 37.30000
  • LogP: 0.81320

(2E)-2,4-Pentadienoic Acid Security Information

  • Hazardous Material transportation number:UN 1759
  • Hazard Category Code: 25-34-43
  • Safety Instruction: 26-36/37/39-45
  • Hazardous Material Identification: T
  • Packing Group:III
  • Hazard Level:8
  • Packing Group:III
  • Safety Term:8
  • HazardClass:8
  • PackingGroup:III

(2E)-2,4-Pentadienoic 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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(2E)-2,4-Pentadienoic Acid Production Method

(2E)-2,4-Pentadienoic Acid Related Literature

Additional information on (2E)-2,4-Pentadienoic Acid

Comprehensive Analysis of (2E)-2,4-Pentadienoic Acid (CAS No. 21651-12-7): Properties, Applications, and Innovations

(2E)-2,4-Pentadienoic Acid (CAS No. 21651-12-7), also known as trans-2,4-pentadienoic acid, is an unsaturated carboxylic acid with a conjugated diene structure. This compound has garnered significant attention in organic synthesis, pharmaceuticals, and material science due to its unique chemical reactivity and versatile applications. Its molecular formula, C5H6O2, and distinctive double-bond configuration make it a valuable intermediate for synthesizing complex molecules.

Recent trends in sustainable chemistry have highlighted the role of (2E)-2,4-Pentadienoic Acid as a bio-based building block. Researchers are exploring its potential in green synthesis to reduce reliance on petrochemical derivatives. For instance, its conjugation system enables Diels-Alder reactions, a cornerstone in producing eco-friendly polymers and pharmaceutical intermediates. This aligns with the growing demand for environmentally benign processes, a topic frequently searched in academic and industrial forums.

In the pharmaceutical industry, CAS No. 21651-12-7 is investigated for its utility in designing drug candidates. Its α,β-unsaturated carbonyl moiety is pivotal for creating bioactive compounds, such as anti-inflammatory agents and antimicrobial derivatives. A surge in Google searches for "natural product analogs" and "small molecule therapeutics" reflects the relevance of such intermediates in drug discovery.

The compound’s physical properties—including a melting point of ~85°C and solubility in polar solvents—are critical for laboratory and industrial handling. Users often query "solubility of (2E)-2,4-Pentadienoic Acid" or "storage conditions for conjugated acids," underscoring the need for precise technical data. Proper storage in cool, dry environments under inert atmospheres is recommended to prevent polymerization or degradation.

Innovations in material science have leveraged the diene functionality of 21651-12-7 to develop advanced coatings and adhesives. Its ability to undergo photochemical reactions is exploited in UV-curable resins, a hotspot in renewable material research. Queries like "biodegradable polymer precursors" or "click chemistry applications" often intersect with discussions on this compound.

Analytical techniques such as HPLC, GC-MS, and NMR are essential for characterizing (2E)-2,4-Pentadienoic Acid purity. Laboratories frequently search for "analytical methods for unsaturated acids" to ensure quality control. Regulatory compliance, particularly for REACH and FDA submissions, further drives the need for accurate documentation of its safety profiles and handling protocols.

In conclusion, CAS No. 21651-12-7 exemplifies the intersection of fundamental chemistry and applied innovation. From drug development to sustainable materials, its multifaceted roles address contemporary challenges. As interest in bio-derived chemicals and precision synthesis grows, this compound will remain a focal point in scientific and industrial advancements.

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