Cas no 16537-09-0 (tert-Butyl Phenylacetate)

Tert-Butyl phenylacetate is an ester derivative of phenylacetic acid, characterized by the presence of a tert-butyl group. This compound is primarily utilized in organic synthesis and pharmaceutical intermediates due to its stability and reactivity under various conditions. Its sterically hindered tert-butyl moiety enhances resistance to hydrolysis, making it suitable for applications requiring prolonged shelf life or controlled release. The aromatic phenylacetate component contributes to its utility in fragrance formulations and as a precursor in fine chemical synthesis. The compound's balanced lipophilicity and molecular weight facilitate its use in solvent systems and as a building block in complex molecular architectures.
tert-Butyl Phenylacetate structure
tert-Butyl Phenylacetate structure
Product Name:tert-Butyl Phenylacetate
CAS No:16537-09-0
MF:C12H16O2
MW:192.254243850708
MDL:MFCD19600048
CID:151680
PubChem ID:316203
Update Time:2025-11-01

tert-Butyl Phenylacetate Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid,1,1-dimethylethyl ester
    • tert-butyl 2-phenylacetate
    • tert-Butyl benzeneacetate
    • 1,1-dimethylethyl benzeneacetate
    • dimethylethyl phenylacetate
    • phenylacetic acid tert-butyl ester
    • tert-butyl 1-phenylpropionate
    • tert-Butyl phenylacetate
    • 2-Phenylacetic acid tert-butyl ester
    • Benzeneacetic acid 1,1-dimethylethyl ester
    • Phenyl-acetic acid tert-butyl ester
    • Acetic acid, phenyl-, tert-butyl ester
    • SCHEMBL1346095
    • SY140087
    • Benzeneacetic acid, 1,1-dimethylethyl ester
    • DTXSID40311506
    • 16537-09-0
    • NSC243709
    • Benzeneacetic acid,1-dimethylethyl ester
    • t-butyl phenyl acetate
    • AKOS013212442
    • NSC-243709
    • t-butyl phenylacetate
    • Q63399061
    • MFCD19600048
    • SB34126
    • tert-Butyl Phenylacetate
    • MDL: MFCD19600048
    • Inchi: 1S/C12H16O2/c1-12(2,3)14-11(13)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
    • InChI Key: QROFQHQXTMKORN-UHFFFAOYSA-N
    • SMILES: O(C(CC1C=CC=CC=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 192.11500
  • Monoisotopic Mass: 192.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 185
  • 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
  • XLogP3: 2.8
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.002
  • Melting Point: -23--21 °C
  • Boiling Point: 250.8°C at 760 mmHg
  • Flash Point: 96.7°C
  • Refractive Index: 1.496
  • PSA: 26.30000
  • LogP: 2.57080

tert-Butyl Phenylacetate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. 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, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

tert-Butyl Phenylacetate Pricemore >>

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¥8463.46 2025-01-22
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
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tert-Butyl Phenylacetate Related Literature

Additional information on tert-Butyl Phenylacetate

Comprehensive Guide to Benzeneacetic acid,1,1-dimethylethyl ester (CAS No. 16537-09-0): Properties, Applications, and Market Insights

Benzeneacetic acid,1,1-dimethylethyl ester (CAS No. 16537-09-0) is a specialized organic compound widely used in the chemical and pharmaceutical industries. This ester derivative of benzeneacetic acid is known for its unique chemical properties, making it valuable in various applications. With the growing interest in sustainable chemistry and green synthesis, this compound has gained attention for its potential in eco-friendly processes. Researchers and manufacturers are increasingly exploring its role in flavor and fragrance formulations, pharmaceutical intermediates, and specialty chemicals.

The molecular structure of Benzeneacetic acid,1,1-dimethylethyl ester features a benzene ring attached to an acetic acid moiety, which is further esterified with a tert-butyl group. This configuration enhances its stability and solubility, making it suitable for diverse industrial applications. The compound’s CAS No. 16537-09-0 is a critical identifier for regulatory and safety documentation, ensuring compliance with global chemical standards. As the demand for high-purity chemical intermediates rises, this ester continues to be a topic of interest in academic and industrial research.

One of the key applications of Benzeneacetic acid,1,1-dimethylethyl ester is in the flavor and fragrance industry. Its aromatic properties contribute to the synthesis of complex scents and tastes, often used in perfumes, food additives, and household products. With consumers increasingly favoring natural and synthetic aroma compounds, this ester plays a pivotal role in meeting market demands. Additionally, its use as a pharmaceutical intermediate highlights its importance in drug development, particularly in the synthesis of active pharmaceutical ingredients (APIs).

In recent years, the compound has also been studied for its potential in green chemistry applications. Researchers are investigating its role as a solvent or catalyst in environmentally benign reactions, aligning with the global shift toward sustainable manufacturing practices. The ester’s low toxicity and biodegradability make it a candidate for replacing traditional, more harmful chemicals in certain processes. This aligns with the increasing consumer and regulatory focus on eco-friendly alternatives in the chemical sector.

The market for Benzeneacetic acid,1,1-dimethylethyl ester is influenced by trends in the pharmaceutical, cosmetic, and specialty chemical industries. As these sectors grow, the demand for high-quality intermediates like this ester is expected to rise. Manufacturers are focusing on optimizing production processes to ensure purity and cost-effectiveness, addressing the needs of a competitive global market. Furthermore, advancements in chemical synthesis and process engineering are likely to enhance the compound’s accessibility and applications.

For researchers and industry professionals, understanding the properties and applications of Benzeneacetic acid,1,1-dimethylethyl ester (CAS No. 16537-09-0) is essential. Its versatility and compatibility with various chemical processes make it a valuable asset in multiple fields. Whether used in flavor formulations, drug synthesis, or sustainable chemistry, this compound continues to demonstrate its significance in modern science and industry. As innovation drives new uses and improved production methods, its role is expected to expand further in the coming years.

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