Cas no 50555-04-9 (2-Propen-1-ol, 3-phenyl-, benzoate, (E)-)

2-Propen-1-ol, 3-phenyl-, benzoate, (E)- structure
50555-04-9 structure
Product Name:2-Propen-1-ol, 3-phenyl-, benzoate, (E)-
CAS No:50555-04-9
MF:C16H14O2
MW:238.281164646149
MDL:MFCD00475021
CID:364663
PubChem ID:5705112
Update Time:2025-04-23

2-Propen-1-ol, 3-phenyl-, benzoate, (E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propen-1-ol, 3-phenyl-, benzoate, (E)-
    • BRN 2109179
    • 2-Propen-1-ol, 3-phenyl-, 1-benzoate
    • Cinnamyl benzoate, >=98%, FG
    • 3-Phenyl-2-propen-1-yl benzoate
    • YD42CSO4W9
    • WLN: RVO2U1R
    • UARVBDPGNUHYQT-JXMROGBWSA-N
    • CINNAMYLBENZOATE
    • CINNAMYL BENZOATE [FHFI]
    • trans-Cinnamyl benzoate
    • 5320-75-2
    • Cinnamyl benzoate [FIFH]
    • Cinnamyl alcohol, benzoate
    • C3650
    • 2-Propen-1-ol, 3-phenyl-, 1-benzoate, (2E)-
    • (2E)-3-phenylprop-2-en-1-yl benzoate
    • (E)-3-phenylallyl benzoate
    • NS00012094
    • 2-Propen-1-ol, 3-phenyl-, benzoate, (2E)-
    • (E)-cinnamyl benzoate
    • AI3-36053
    • Cinnamyl benzoate
    • AKOS004905721
    • UNII-YD42CSO4W9
    • DTXSID501262614
    • EINECS 226-180-2
    • 2-09-00-00103 (Beilstein Handbook Reference)
    • NSC245146
    • NSC 245146
    • MFCD00475021
    • SCHEMBL382617
    • CHEBI:174231
    • 3-Phenyl-2-propenyl Benzoate
    • 50555-04-9
    • [(E)-3-phenylprop-2-enyl] benzoate
    • NSC-245146
    • CHEMBL1095237
    • 2-Propen-1-ol, benzoate
    • Benzoic acid, cinnamyl ester
    • Q27294470
    • FEMA NO. 4703
    • Z2583146334
    • 2-Propen-1-ol, 3-phenyl-, benzoate
    • (e)-Cinnamyl benzoic acid
    • trans-Cinnamyl benzoic acid
    • (2E)-3-Phenylprop-2-en-1-yl benzoic acid
    • Cinnamyl benzoic acid
    • ((E)-3-phenylprop-2-enyl) benzoate
    • Cinnamyl benzoate (FIFH)
    • MDL: MFCD00475021
    • Inchi: 1S/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+
    • InChI Key: UARVBDPGNUHYQT-JXMROGBWSA-N
    • SMILES: O(C(C1C=CC=CC=1)=O)C/C=C/C1C=CC=CC=1

Computed Properties

  • Exact Mass: 256.10998
  • Monoisotopic Mass: 238.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 271
  • 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: 4.6
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 57.53

2-Propen-1-ol, 3-phenyl-, benzoate, (E)- Pricemore >>

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Additional information on 2-Propen-1-ol, 3-phenyl-, benzoate, (E)-

Compound CAS No 50555-04-9: 2-Propen-1-ol, 3-phenyl-, benzoate, (E)-

The compound with CAS No 50555-04-9, commonly referred to as 2-propen-1-ol, 3-phenyl-, benzoate, (E)-, is a significant molecule in the field of organic chemistry and materials science. This compound is characterized by its unique structure, which includes a phenyl group attached to a propenol backbone and a benzoate ester group. The (E)-configuration denotes the specific stereochemistry of the double bond in the molecule, which plays a crucial role in its physical and chemical properties.

Recent studies have highlighted the potential of 2-propen-1-ol, 3-phenyl-, benzoate, (E)- in various applications, particularly in the development of advanced materials and pharmaceuticals. Researchers have explored its ability to form self-assembled monolayers (SAMs) on surfaces, which is a critical property for applications in nanotechnology and surface engineering. The molecule's ability to undergo controlled polymerization has also been investigated, offering new avenues for the creation of functional polymers with tailored properties.

In the context of drug delivery systems, 2-propen-1-ol, 3-phenyl-, benzoate, (E)- has shown promise as a carrier molecule due to its biocompatibility and ability to encapsulate hydrophobic drugs. Studies have demonstrated that this compound can enhance drug solubility and stability, making it a valuable component in the formulation of targeted drug delivery systems. Furthermore, its compatibility with biological systems has been validated through in vitro experiments, suggesting potential applications in therapeutic treatments.

The synthesis of 2-propen-1-ol, 3-phenyl-, benzoate, (E)- has been optimized through green chemistry approaches, reducing environmental impact and improving yield. Novel synthetic pathways have been developed using catalytic asymmetric synthesis, enabling the production of enantiomerically pure compounds. This advancement is particularly important for pharmaceutical applications where stereochemistry is critical for efficacy and safety.

Recent advancements in computational chemistry have provided deeper insights into the electronic structure and reactivity of 2-propen-1-ol, 3-phenyl-, benzoate, (E)-. Quantum mechanical calculations have revealed that the molecule exhibits unique electronic properties due to conjugation effects between the phenyl ring and the benzoate group. These findings have implications for its use in optoelectronic devices and sensors.

In conclusion, 2-propen-1-ol, 3-phenyl-, benzoate, (E)- with CAS No 50555-04-9 is a versatile compound with a wide range of potential applications across multiple disciplines. Its unique structure and properties make it an invaluable tool for researchers in materials science, pharmacology, and nanotechnology. As ongoing research continues to uncover new functionalities and applications for this compound, it is poised to play an increasingly important role in both academic and industrial settings.

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