Cas no 5137-52-0 (Pentyl phenylacetate)

Pentyl phenylacetate is an ester compound formed by the reaction of phenylacetic acid and pentanol. It is characterized by its sweet, honey-like aroma with floral undertones, making it a valuable ingredient in fragrance and flavor formulations. The compound exhibits good stability under typical storage conditions and is compatible with a wide range of solvents and carriers. Its moderate volatility ensures a balanced release in applications such as perfumery and food flavoring. Pentyl phenylacetate is also noted for its low toxicity profile, adhering to industry safety standards. Its consistent purity and reliable performance make it a preferred choice for precise formulations requiring a phenylacetate ester.
Pentyl phenylacetate structure
Pentyl phenylacetate structure
Product Name:Pentyl phenylacetate
CAS No:5137-52-0
MF:C13H18O2
MW:206.280824184418
MDL:MFCD00027272
CID:45558
Update Time:2025-05-19

Pentyl phenylacetate Chemical and Physical Properties

Names and Identifiers

    • pentyl phenylacetate
    • AMYL-PHENYLACETATE
    • pentyl 2-phenylacetate
    • Amylphenyl acetate
    • Benzeneacetic acid,pentyl ester
    • n-Amyl phenylacetate
    • phenyl-acetic acid pentyl ester
    • Phenylessigsaeure-amyl-cis-ester
    • Phenyl-essigsaeure-pentylester
    • Aceticacid, phenyl-, pentyl ester (6CI,7CI,8CI)
    • NSC 46135
    • Phenylacetic acid pentyl ester
    • Amyl phenylacetate
    • Benzeneacetic acid, pentyl ester
    • Acetic acid, phenyl-, pentyl ester
    • 7ET3LE4BID
    • Acetic acid, phenyl-, pentyl ester (8CI)
    • Amylphenylacetat
    • Phenylacetic Acid Amyl Ester
    • Benzeneacetic acid amyl ester
    • Phenylacetic acid, pentyl ester
    • Pentyl phenylacetate
    • MDL: MFCD00027272
    • Inchi: 1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3
    • InChI Key: LRVLBFSVAFUOGO-UHFFFAOYSA-N
    • SMILES: CCCCCOC(CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 206.13100
  • Monoisotopic Mass: 206.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 171
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.7
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 0.99
  • Boiling Point: 269°C(lit.)
  • Flash Point: 280.4 °C at 760 mmHg
  • Refractive Index: 1.4850 to 1.4890
  • PSA: 26.30000
  • LogP: 2.96250

Pentyl phenylacetate Pricemore >>

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Pentyl phenylacetate Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:5137-52-0)苯乙酸正戊酯
Order Number:LE27017633
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 13:01
Price ($):discuss personally

Pentyl phenylacetate Related Literature

  • 1. Dielectric study of esters in benzene: internal rotation and molecular configuration
    Bal Krishna,S. V. Mahadane,Bhartendu Prakash J. Chem. Soc. B 1970 954
  • 2. Adsorption of carbon monoxide over the ‘on-top’ sites of Ni, Cu and Ni–Cu surfaces. An extended Hückel molecular orbital study
    Pramod S. Kumbhar,Rajeev A. Rajadhyaksha,Rajappan Vetrivel J. Chem. Soc. Faraday Trans. 1992 88 1165

Additional information on Pentyl phenylacetate

Introduction to Pentyl phenylacetate (CAS No. 5137-52-0)

Pentyl phenylacetate, chemically known by the CAS number 5137-52-0, is an organic compound that belongs to the class of esters. This compound features a pentyl group attached to a phenylacetate moiety, making it a valuable intermediate in various chemical and pharmaceutical applications. The unique structural properties of pentyl phenylacetate contribute to its versatility, enabling its use in multiple domains such as fragrance formulation, chemical synthesis, and potential biological research.

The molecular structure of Pentyl phenylacetate consists of an acetic acid derivative where the hydroxyl group is replaced by an ethyl chain, which is further substituted with a phenyl ring. This configuration imparts distinct characteristics to the compound, including solubility in organic solvents and a moderate volatility. These properties make it an attractive candidate for applications in fine chemical manufacturing and specialty chemical formulations.

In recent years, there has been growing interest in the potential applications of pentyl phenylacetate in the field of pharmaceutical research. Its ester functionality allows for further derivatization, making it a useful building block for synthesizing more complex molecules. For instance, researchers have explored its role in developing novel compounds that exhibit potential therapeutic effects. Studies have indicated that derivatives of pentyl phenylacetate may interact with specific biological pathways, suggesting their utility in drug discovery programs targeting neurological and inflammatory conditions.

The fragrance industry has also recognized the value of pentyl phenylacetate due to its aromatic profile and stability. This compound contributes a subtle floral scent with hints of fruitiness, making it a preferred choice for perfumers and flavorists. Its compatibility with other fragrance components enhances its appeal in creating balanced and long-lasting aromatic compositions. The compound's resistance to degradation under various environmental conditions further solidifies its position as a reliable ingredient in commercial fragrance products.

From a synthetic chemistry perspective, pentyl phenylacetate serves as a versatile intermediate in organic transformations. Its reactivity allows for the introduction of diverse functional groups, facilitating the construction of more complex molecular architectures. Chemists have utilized this compound in cross-coupling reactions, esterifications, and other synthetic protocols to develop novel materials with tailored properties. The ease with which pentyl phenylacetate can be incorporated into synthetic pathways underscores its importance as a synthetic tool in modern chemistry.

Recent advancements in analytical techniques have enabled more detailed studies on the behavior of pentyl phenylacetate in various environments. Spectroscopic methods such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry have provided insights into its molecular interactions and degradation patterns. These studies not only enhance our understanding of the compound's fundamental properties but also guide its optimization for industrial applications. The data generated from these analyses are crucial for ensuring the consistent quality and performance of products derived from pentyl phenylacetate.

The environmental impact of using pentyl phenylacetate has also been a subject of interest. Research has focused on evaluating its biodegradability and potential effects on ecosystems. Preliminary findings suggest that pentyl phenylacetate undergoes slow degradation under natural conditions but does not pose significant risks to environmental health when used responsibly. Regulatory agencies have classified this compound as non-hazardous under typical usage scenarios, further supporting its widespread application across industries.

In conclusion, pentyl phenylacetate (CAS No. 5137-52-0) is a multifaceted compound with applications spanning fragrance formulation, pharmaceutical research, and synthetic chemistry. Its unique structural features and functional properties make it indispensable in multiple domains, driving innovation and efficiency in chemical manufacturing processes. As research continues to uncover new possibilities for this compound, its significance is expected to grow even further, solidifying its role as a cornerstone in modern chemical applications.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:5137-52-0)苯乙酸正戊酯
LE27017633
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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