Cas no 115610-25-8 (2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)-)

2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)-, is a specialized ester derivative of 3-(4-hydroxyphenyl)-2-propenoic acid, featuring a trans-configuration (2E) and a phenylethyl ester group. This compound is of interest in organic synthesis and material science due to its conjugated double bond system and phenolic hydroxyl group, which may enhance reactivity in polymerization or cross-linking applications. Its structure suggests potential utility as a monomer for UV-curable coatings or adhesives, where the phenolic moiety could impart improved adhesion or stability. The ester group may also influence solubility and compatibility with other organic matrices. Further research is warranted to explore its full synthetic and industrial potential.
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)- structure
115610-25-8 structure
Product Name:2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)-
CAS No:115610-25-8
MF:C17H16O3
MW:268.307145118713
CID:1204893
PubChem ID:53857984
Update Time:2025-05-19

2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)-
    • 2-phenylethyl 3-(4-hydroxyphenyl)prop-2-enoate
    • DTXSID60707184
    • phenethyl-4-hydroxycinnamate
    • BDBM50362851
    • 2-phenylethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
    • CHEMBL1940390
    • 2-PHENYLETHYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE
    • 2-phenylethyl p-coumarate
    • E77549
    • Phenethyl 3-(4-Hydroxyphenyl)Acrylate
    • AS-80022
    • Phenethyl (E)-3-(4-hydroxyphenyl)acrylate
    • SCHEMBL7377862
    • 115610-25-8
    • Inchi: 1S/C17H16O3/c18-16-9-6-15(7-10-16)8-11-17(19)20-13-12-14-4-2-1-3-5-14/h1-11,18H,12-13H2/b11-8+
    • InChI Key: GUMNIDBFNHVRBD-DHZHZOJOSA-N
    • SMILES: O(C(/C=C/C1C=CC(=CC=1)O)=O)CCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 268.10998
  • Monoisotopic Mass: 268.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 310
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 4.2
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

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Additional information on 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)-

Comprehensive Overview of 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)- (CAS No. 115610-25-8)

2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)-, with the CAS number 115610-25-8, is a specialized organic compound that has garnered significant attention in the fields of cosmetic chemistry, pharmaceutical research, and fragrance formulation. This ester derivative, characterized by its phenolic hydroxyl group and α,β-unsaturated carbonyl structure, exhibits unique physicochemical properties that make it valuable for various applications. Its E-configuration (2E) further enhances its stability and reactivity, which is critical for industrial use.

In recent years, the demand for natural-inspired synthetic compounds like 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)- has surged, driven by trends in clean beauty and sustainable skincare. Consumers and researchers alike are increasingly searching for alternatives to traditional ingredients, focusing on bioactive esters and plant-derived analogs. This compound’s structural resemblance to hydroxycinnamic acid derivatives—found in plants like cinnamon and grapes—positions it as a promising candidate for antioxidant and UV-protective formulations.

The synthesis of CAS 115610-25-8 typically involves esterification reactions between 3-(4-hydroxyphenyl)-2-propenoic acid and 2-phenylethanol, often catalyzed by green chemistry principles to minimize environmental impact. This aligns with the growing emphasis on eco-friendly production methods, a topic frequently queried in scientific databases and patent literature. Its low toxicity profile and compatibility with biodegradable matrices further enhance its appeal for cosmetic emulsifiers and controlled-release drug delivery systems.

From a functional perspective, the compound’s conjugated double bond system enables interactions with free radicals, making it a subject of interest for anti-aging research. Studies suggest potential synergies with vitamin E analogs and polyphenols, addressing common search queries like "skin barrier enhancers" and "non-irritating actives." Additionally, its aromatic phenylethyl moiety contributes to its use in perfumery, where it imparts floral and balsamic notes, catering to the niche market of fine fragrance design.

Regulatory compliance is another critical aspect for CAS 115610-25-8. While not classified as hazardous, its adoption in personal care products requires adherence to REACH and Cosmetic Ingredient Review (CIR) guidelines. This aligns with frequent searches on "EU-compliant cosmetic ingredients" and "safety assessments for ester-based compounds." Analytical techniques such as HPLC-MS and NMR spectroscopy are routinely employed to verify its purity, ensuring compliance with ISO standards.

In conclusion, 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)- represents a versatile compound bridging scientific innovation and market-driven applications. Its multifaceted roles—from cosmetic stabilizers to therapeutic adjuvants—underscore its relevance in contemporary research. As the industry shifts toward sustainable and multifunctional ingredients, this compound is poised to remain a focal point for both academic and commercial exploration.

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