Cas no 69168-45-2 (1-Pyrenedodecanoic acid)

1-Pyrenedodecanoic acid is a fluorescent fatty acid derivative characterized by the incorporation of a pyrene moiety into a dodecanoic acid chain. This compound is particularly valuable in research applications due to its strong fluorescence properties, which enable sensitive detection and labeling in biological and chemical systems. The long alkyl chain enhances its solubility in lipid-rich environments, making it suitable for studying membrane dynamics, lipid-protein interactions, and micelle formation. Its stability and well-defined spectral characteristics allow for precise tracking in fluorescence spectroscopy and microscopy. The product is commonly utilized in biophysical and materials science research, offering reliable performance in probing hydrophobic systems.
1-Pyrenedodecanoic acid structure
1-Pyrenedodecanoic acid structure
Product Name:1-Pyrenedodecanoic acid
CAS No:69168-45-2
MF:C28H32O2
MW:400.552488327026
MDL:MFCD00080927
CID:512834
PubChem ID:24888030
Update Time:2025-06-26

1-Pyrenedodecanoic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Pyrenedodecanoic acid
    • 12-pyren-1-yldodecanoic acid
    • 12-Pdda
    • 1-pyrenedoecanoic acid
    • Pyrene-1-dodecanoic acid
    • pyrenedodecanoic acid
    • 12-(1-Pyrenyl)dodecanoic acid
    • 12-(1-Pyrene)dodecanoic acid
    • 69168-45-2
    • 12-(pyren-1-yl)dodecanoicacid
    • DTXSID00219216
    • 1-PYRENEDODECANOICACID
    • MFCD00080927
    • AKOS015893944
    • 1-Pyrenedodecanoic acid, suitable for fluorescence, >=98.0% (HPLC)
    • AS-60176
    • SCHEMBL591281
    • J-100227
    • 12-(pyren-1-yl)dodecanoic acid
    • pyrene-dodecanoic acid
    • 12-(1-Pyrenyl) dodecanoic acid
    • FT-0608290
    • 12-(1-Pyrene)dodecanoic Acid; 12-(1-Pyrenyl)dodecanoic Acid; P 12; P 12 (photosensitizer)
    • JORFLUCVQONOPN-UHFFFAOYSA-N
    • DTXCID20141707
    • A12760
    • MDL: MFCD00080927
    • Inchi: 1S/C28H32O2/c29-26(30)14-9-7-5-3-1-2-4-6-8-11-21-15-16-24-18-17-22-12-10-13-23-19-20-25(21)28(24)27(22)23/h10,12-13,15-20H,1-9,11,14H2,(H,29,30)
    • InChI Key: JORFLUCVQONOPN-UHFFFAOYSA-N
    • SMILES: OC(CCCCCCCCCCCC1C=CC2=CC=C3C=CC=C4C=CC=1C2=C43)=O

Computed Properties

  • Exact Mass: 400.24000
  • Monoisotopic Mass: 400.24
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 12
  • Complexity: 529
  • 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: 9.5
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • Color/Form: Yellow solid.
  • Density: 1.129
  • Melting Point: Not available
  • Boiling Point: 594.5 °C at 760 mmHg
  • Flash Point: 490.7 °C
  • Refractive Index: 1.653
  • PSA: 37.30000
  • LogP: 8.11210
  • Solubility: Not determined
  • Vapor Pressure: Not available

1-Pyrenedodecanoic acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305 + P351 + P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • Storage Condition:2-8°C

1-Pyrenedodecanoic acid Pricemore >>

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1-Pyrenedodecanoic acid Related Literature

Additional information on 1-Pyrenedodecanoic acid

Introduction to 1-Pyrenedodecanoic Acid (CAS No: 69168-45-2)

1-Pyrenedodecanoic acid, also known by its CAS number CAS No: 69168-45-2, is a compound that has garnered significant attention in the fields of chemistry and materials science due to its unique properties and potential applications. This compound is a derivative of pyrene, a polycyclic aromatic hydrocarbon (PAH), and is characterized by its extended conjugated system, which imparts distinctive electronic and optical properties. The addition of a dodecanoic acid group further enhances its functional versatility, making it a valuable material for various research and industrial applications.

The structure of 1-pyrenedodecanoic acid consists of a pyrene core, which is a fused ring system comprising four benzene rings, attached to a dodecanoic acid moiety via a carbon chain. This combination allows the compound to exhibit both hydrophobic and hydrophilic characteristics, depending on the environment. The extended conjugation in the pyrene core contributes to strong fluorescence properties, which have been extensively studied for applications in sensing, imaging, and optoelectronics.

Recent advancements in the synthesis and characterization of 1-pyrenedodecanoic acid have opened new avenues for its use in advanced materials. Researchers have explored its potential as a building block for constructing self-assembled monolayers (SAMs), which are crucial for creating surfaces with tailored functionalities. The ability of this compound to form ordered structures at interfaces makes it an attractive candidate for applications in nanotechnology, such as the fabrication of sensors and drug delivery systems.

In terms of chemical synthesis, 1-pyrenedodecanoic acid can be synthesized through various routes, including Friedel-Crafts alkylation and coupling reactions. These methods allow for precise control over the structure and purity of the compound, ensuring its suitability for high-performance applications. The synthesis process typically involves multiple steps, including purification techniques such as column chromatography and recrystallization to achieve the desired product quality.

The optical properties of 1-pyrenedodecanoic acid have been extensively studied using techniques such as UV-Vis spectroscopy and fluorescence spectroscopy. These studies have revealed that the compound exhibits strong fluorescence emission in certain solvents, making it a promising candidate for use in fluorescent sensors and bioimaging agents. Additionally, the compound's fluorescence properties are highly sensitive to environmental changes, such as pH and temperature, further enhancing its utility in sensing applications.

Beyond its optical properties, 1-pyrenedodecanoic acid has also been investigated for its potential in energy-related applications. For instance, researchers have explored its use as an electron acceptor material in organic photovoltaics (OPVs). The compound's ability to efficiently transport charges and its compatibility with other organic semiconductors make it a valuable component in next-generation solar cell technologies.

In conclusion, 1-pyrenedodecanoic acid, with its unique structure and versatile properties, represents a significant advancement in materials science. Its potential applications span across multiple disciplines, from sensing and imaging to energy harvesting and drug delivery systems. As research continues to uncover new insights into this compound's behavior and functionality, it is poised to play an increasingly important role in both academic research and industrial innovation.

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