Cas no 53229-60-0 (Benzyl 4-oxobutanoate)

Benzyl 4-oxobutanoate is a versatile ester compound characterized by its ketone and ester functional groups, making it valuable in organic synthesis and pharmaceutical applications. Its structure, featuring a reactive 4-oxobutanoate moiety bound to a benzyl group, allows for selective transformations, including nucleophilic additions and reductions. The benzyl ester provides stability while remaining cleavable under mild conditions, facilitating its use as a protecting group or intermediate in multi-step syntheses. This compound is particularly useful in the preparation of fine chemicals, fragrances, and bioactive molecules. Its well-defined reactivity and compatibility with various reaction conditions enhance its utility in research and industrial processes.
Benzyl 4-oxobutanoate structure
Benzyl 4-oxobutanoate structure
Product Name:Benzyl 4-oxobutanoate
CAS No:53229-60-0
MF:C11H12O3
MW:192.211183547974
CID:1581589
PubChem ID:12023172
Update Time:2025-10-28

Benzyl 4-oxobutanoate Chemical and Physical Properties

Names and Identifiers

    • Benzyl 4-oxobutanoate
    • 4-oxobutyl pivalate
    • CTK1C0396
    • 4-(Pivaloyloxy)butyraldehyde
    • 2,2-dimethylpropionic acid-4-oxo-butyl ester
    • 3-benzyloxycarbonylpropionaldehyde
    • Propanoic acid, 2,2-dimethyl-, 4-oxobutyl ester
    • 4-oxobutyric acid benzyl ester
    • 4-oxobutanoic acid phenylmethyl ester
    • 4-pivaloyloxybutanal
    • 4-(Pivaloyloxy)butanal
    • AGN-PC-003Z7F
    • benzyl 4-formylbutanoate
    • benzyl 4-oxobutanoate ester
    • 53229-60-0
    • AKOS016016050
    • Butanoic acid, 4-oxo-, phenylmethyl ester
    • DB-071647
    • SCHEMBL2587934
    • MDL: MFCD11975724
    • Inchi: 1S/C11H12O3/c12-8-4-7-11(13)14-9-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2
    • InChI Key: NJWHOVCUMLPGAF-UHFFFAOYSA-N
    • SMILES: O=CCCC(OCC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 192.07866
  • Monoisotopic Mass: 192.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 183
  • 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: 1.4
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

Benzyl 4-oxobutanoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
FD02214-5g
benzyl 4-oxobutanoate
53229-60-0 97%
5g
$1671 2023-09-07

Additional information on Benzyl 4-oxobutanoate

Comprehensive Overview of Benzyl 4-oxobutanoate (CAS No. 53229-60-0): Properties, Applications, and Industry Insights

Benzyl 4-oxobutanoate (CAS No. 53229-60-0), also known as benzyl levulinate, is a versatile ester compound widely utilized in the fragrance, pharmaceutical, and specialty chemical industries. This organic compound features a benzyl group linked to a 4-oxobutanoate moiety, offering unique reactivity and functional properties. With growing interest in sustainable and bio-based chemicals, Benzyl 4-oxobutanoate has gained attention as a potential intermediate for green chemistry applications, aligning with trends like eco-friendly solvents and renewable feedstocks.

The molecular structure of CAS No. 53229-60-0 combines aromatic and carbonyl functionalities, making it valuable for synthesizing flavors and fragrances with fruity or floral notes. Researchers frequently search for "Benzyl 4-oxobutanoate synthesis" or "53229-60-0 applications in perfumery," reflecting its niche yet significant role. Recent studies highlight its use in controlled-release formulations, where its ester linkage enables gradual hydrolysis—an area of interest for drug delivery systems.

From a technical perspective, Benzyl 4-oxobutanoate exhibits a boiling point of ~280°C and moderate solubility in organic solvents, properties often queried in "53229-60-0 physical properties" searches. Its stability under acidic conditions makes it preferable for certain catalytic reactions, a topic frequently discussed in organic chemistry forums. Industry reports suggest rising demand for such esters in high-value agrochemicals, particularly as safer alternatives to traditional compounds.

Innovation drivers like green chemistry and circular economy principles have spurred investigations into bio-derived routes for CAS No. 53229-60-0 production. Queries such as "biocatalytic synthesis of Benzyl 4-oxobutanoate" indicate this shift. The compound’s low toxicity profile (as per standard industry assessments) further supports its adoption in consumer product formulations, meeting regulatory requirements for cosmetics and household products.

Analytical methods for Benzyl 4-oxobutanoate characterization, including GC-MS and HPLC protocols, are another hot topic, with searches like "53229-60-0 analytical standards." The compound’s NMR spectra (showing distinctive peaks at 7.3 ppm for the benzyl ring and 2.5 ppm for the methylene groups) serve as key identification markers. These technical details are crucial for quality control in manufacturing processes.

Market analysts note that Benzyl 4-oxobutanoate aligns with the "bio-based chemicals market growth" trend, projected to expand at 8% CAGR through 2030. Its compatibility with enzymatic catalysis (addressed in patents for energy-efficient production) responds to industry demands for reduced carbon footprints. Such advancements position CAS No. 53229-60-0 as a candidate for sustainable chemical portfolios.

In conclusion, Benzyl 4-oxobutanoate exemplifies how traditional compounds gain renewed relevance through modern applications. Whether for "fragrance fixatives" or "specialty polymer precursors," its multifaceted utility continues to inspire research and commercial innovation across global markets.

Recommended suppliers
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd