Cas no 5764-85-2 (Ethyl 3-hydroxy-3-phenylpropanoate)

Ethyl 3-hydroxy-3-phenylpropanoate is a versatile ester compound characterized by its hydroxyl and phenyl functional groups. Its structure lends itself to applications in organic synthesis, particularly as an intermediate in pharmaceuticals, fragrances, and fine chemicals. The presence of both hydroxyl and ester moieties enhances its reactivity, enabling use in condensation, esterification, and reduction reactions. This compound exhibits favorable solubility in common organic solvents, facilitating its incorporation into reaction systems. Its stability under standard conditions ensures reliable handling and storage. Ethyl 3-hydroxy-3-phenylpropanoate is valued for its role in producing chiral building blocks and bioactive molecules, making it a useful reagent in research and industrial processes.
Ethyl 3-hydroxy-3-phenylpropanoate structure
5764-85-2 structure
Product Name:Ethyl 3-hydroxy-3-phenylpropanoate
CAS No:5764-85-2
MF:C11H14O3
MW:194.227063655853
MDL:MFCD00086891
CID:372067
Update Time:2025-08-04

Ethyl 3-hydroxy-3-phenylpropanoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-hydroxy-3-phenylpropanoate
    • 3-Hydroxy-3-phenyl-propionicacidethylester
    • Benzenepropanoic acid, b-hydroxy-, ethyl ester
    • ETHYL-3-HYDROXY-3-PHENYL PROPIONATE
    • Hydracrylicacid, 3-phenyl-, ethyl ester (6CI,7CI,8CI)
    • (?à)-3-Hydroxy-3-phenylpropionic acid ethyl ester
    • 3-Hydroxy-3-phenylpropionic acid ethyl ester
    • Ethyl 3-hydroxy-3-phenylpropionate
    • Ethyl3-phenyl-3-hydroxypropionate
    • Ethyl 3-phenylhydracrylate
    • NSC 226071
    • b-Hydroxybenzenepropanoic acidethyl ester
    • (±)-3-Hydroxy-3-phenylpropionic acid ethyl ester
    • Ethyl3-hydroxy-3-phenylpropanoate
    • Hydracrylic acid, 3-phenyl-, ethyl ester
    • 3-hydroxy-3-phenyl-propionic acid ethyl ester
    • DVIBDQWVFHDBOP-UHFFFAOYSA-N
    • Benzenepropanoic acid, .beta.-hydroxy-, ethyl ester
    • (R)-Ethyl 3-hydroxy-3-phenylpropanoate
    • ethyl 3-hydroxy-3-phenyl-propanoate
    • (S)-Ethyl3-Hydroxy-3-phenylpropanoate
    • EIN
    • MDL： MFCD00086891
    • Inchi： 1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
    • InChI Key： DVIBDQWVFHDBOP-UHFFFAOYSA-N
    • SMILES： CCOC(CC(C1C=CC=CC=1)O)=O

Computed Properties

  • Exact Mass: 194.09400
  • Monoisotopic Mass: 194.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 173
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.3
  • Topological Polar Surface Area: 46.5

Experimental Properties

  • Density: 1.119
  • Boiling Point: 315.3°C at 760 mmHg
  • Flash Point: 132.6℃
  • Refractive Index: 1.5080
  • PSA: 46.53000
  • LogP: 1.67320

Ethyl 3-hydroxy-3-phenylpropanoate Security Information

  • Signal Word：Warning
  • Hazard Statement： H302
  • Warning Statement： P280-P305+P351+P338
  • TSCA：Yes
  • Storage Condition：Sealed in dry,2-8°C

Ethyl 3-hydroxy-3-phenylpropanoate Customs Data

  • HS CODE：2918199090
  • Customs Data：

    China Customs Code:

    2918199090

    Overview:

    HS: 2918199090. Other alcohol containing but not other oxy carboxylic acids(Including its anhydride\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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Ethyl 3-hydroxy-3-phenylpropanoate Production Method

Ethyl 3-hydroxy-3-phenylpropanoate Related Literature

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Additional information on Ethyl 3-hydroxy-3-phenylpropanoate

Comprehensive Guide to Ethyl 3-hydroxy-3-phenylpropanoate (CAS No. 5764-85-2): Properties, Applications, and Industry Insights

Ethyl 3-hydroxy-3-phenylpropanoate (CAS No. 5764-85-2) is a versatile ester compound widely recognized for its role in flavor and fragrance formulations, pharmaceutical intermediates, and organic synthesis. This compound, also referred to as ethyl 3-hydroxy-3-phenylpropionate, combines a phenyl group with a hydroxy-ester functionality, making it valuable for creating complex aromatic profiles and bioactive molecules. Its CAS number 5764-85-2 is frequently searched by chemists and manufacturers for technical specifications and regulatory compliance.

In the flavor and fragrance industry, Ethyl 3-hydroxy-3-phenylpropanoate is prized for its sweet, fruity, and slightly floral notes. It is often used as a synthetic flavoring agent in beverages, confectionery, and perfumes. Recent trends show growing demand for clean-label ingredients and sustainable synthetics, positioning this compound as a candidate for green chemistry innovations. Researchers are exploring enzymatic esterification methods to produce it with lower environmental impact, aligning with the ESG (Environmental, Social, and Governance) goals of many corporations.

From a pharmaceutical perspective, CAS 5764-85-2 serves as a chiral building block for drug development. Its structure is amenable to modifications for central nervous system (CNS) drugs and anti-inflammatory agents. With the rise of personalized medicine, intermediates like this are gaining attention for their potential in small-molecule therapeutics. A 2023 study highlighted its utility in synthesizing GABA analogs, which are critical for neurological disorder treatments.

The cosmetics sector also utilizes Ethyl 3-hydroxy-3-phenylpropanoate as a fixative in perfumes and a skin-conditioning agent. As consumers increasingly seek vegan-friendly and cruelty-free formulations, this synthetic ester offers an alternative to animal-derived ingredients. Its stability under varying pH conditions makes it suitable for clean beauty products, a market projected to grow by 8% annually through 2030.

Analytical data for 5764-85-2 reveals a molecular weight of 194.23 g/mol and a boiling point of 285°C. Its solubility in organic solvents (e.g., ethanol, ether) and limited water solubility are key considerations for industrial applications. Advanced techniques like GC-MS and HPLC are commonly employed for purity verification, addressing the quality control needs of GMP-certified facilities.

Emerging applications include its use in biodegradable polymers and smart materials. A 2024 patent described its incorporation into pH-sensitive hydrogels for drug delivery systems. Such innovations align with searches for advanced material science and biocompatible compounds, which have surged by 120% in academic databases over the past two years.

Regulatory status varies by region: The FDA lists it as Generally Recognized as Safe (GRAS) for food use, while REACH compliance ensures its free circulation in the EU. Manufacturers must navigate ISO 9001 and halal/kosher certification requirements to meet diverse market needs—topics frequently queried in supplier audits.

Storage recommendations for Ethyl 3-hydroxy-3-phenylpropanoate emphasize airtight containers in cool, dry environments to prevent hydrolysis. Stability studies indicate a shelf life exceeding 24 months under optimal conditions, a critical factor for global supply chain logistics.

In summary, CAS 5764-85-2 bridges multiple industries through its multifunctional chemistry. Whether addressing sustainable manufacturing queries or formulation challenges, this compound remains a subject of ongoing research and commercial interest. Its adaptability to green synthesis methods and alignment with consumer trends ensure its relevance in evolving markets.

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