Cas no 5129-35-1 (propyl 2,2-dimethylpropanoate)

Propyl 2,2-dimethylpropanoate is a branched-chain ester with the molecular formula C8H16O2. It is characterized by its clear, colorless appearance and mild, fruity odor. The compound's structure, featuring a neopentyl (2,2-dimethylpropanoate) moiety, contributes to its stability and resistance to hydrolysis under mild conditions. This ester is commonly utilized as a flavoring agent in food and fragrance applications due to its pleasant aroma profile. Additionally, it serves as a versatile intermediate in organic synthesis, particularly in the production of specialty chemicals. Its low volatility and compatibility with various solvents make it suitable for formulations requiring controlled release or prolonged stability.
propyl 2,2-dimethylpropanoate structure
propyl 2,2-dimethylpropanoate structure
Product Name:propyl 2,2-dimethylpropanoate
CAS No:5129-35-1
MF:C8H16O2
MW:144.211442947388
CID:374416
PubChem ID:138418
Update Time:2025-08-26

propyl 2,2-dimethylpropanoate Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2,2-dimethyl-, propyl ester
    • PIVALIC ACID PROPYL ESTER
    • propyl 2,2-dimethylpropanoate
    • n-Propyl pivalate
    • Propyl pivalate
    • DTXSID20199283
    • Propyl 2,2-dimethylpropanoate, AldrichCPR
    • AKOS008132166
    • 5129-35-1
    • SCHEMBL204763
    • QMKUYPGVVVLYSR-UHFFFAOYSA-N
    • EN300-65485
    • Propanoic acid, 2,2-dimethyl-, propyl ester
    • propyl2,2-dimethylpropanoate
    • G41202
    • Inchi: 1S/C8H16O2/c1-5-6-10-7(9)8(2,3)4/h5-6H2,1-4H3
    • InChI Key: QMKUYPGVVVLYSR-UHFFFAOYSA-N
    • SMILES: O(CCC)C(C(C)(C)C)=O

Computed Properties

  • Exact Mass: 144.11508
  • Monoisotopic Mass: 144.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 111
  • 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: 2.4
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

propyl 2,2-dimethylpropanoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B524615-5mg
propyl 2,2-dimethylpropanoate
5129-35-1
5mg
$ 50.00 2022-06-01
TRC
B524615-10mg
propyl 2,2-dimethylpropanoate
5129-35-1
10mg
$ 65.00 2022-06-01
TRC
B524615-50mg
propyl 2,2-dimethylpropanoate
5129-35-1
50mg
$ 80.00 2022-06-01
Enamine
EN300-65485-0.1g
propyl 2,2-dimethylpropanoate
5129-35-1 95%
0.1g
$62.0 2023-02-13
Enamine
EN300-65485-0.25g
propyl 2,2-dimethylpropanoate
5129-35-1 95%
0.25g
$88.0 2023-02-13
Enamine
EN300-65485-0.5g
propyl 2,2-dimethylpropanoate
5129-35-1 95%
0.5g
$164.0 2023-02-13
Enamine
EN300-65485-1.0g
propyl 2,2-dimethylpropanoate
5129-35-1 95%
1.0g
$241.0 2023-02-13
Enamine
EN300-65485-2.5g
propyl 2,2-dimethylpropanoate
5129-35-1 95%
2.5g
$473.0 2023-02-13
Enamine
EN300-65485-5.0g
propyl 2,2-dimethylpropanoate
5129-35-1 95%
5.0g
$701.0 2023-02-13
Enamine
EN300-65485-10.0g
propyl 2,2-dimethylpropanoate
5129-35-1 95%
10.0g
$1040.0 2023-02-13

propyl 2,2-dimethylpropanoate Related Literature

Additional information on propyl 2,2-dimethylpropanoate

Propyl 2,2-Dimethylpropanoate (CAS No. 5129-35-1): An Overview of Its Properties, Applications, and Recent Research

Propyl 2,2-dimethylpropanoate (CAS No. 5129-35-1) is a versatile organic compound that has gained significant attention in various fields, including chemical synthesis, pharmaceuticals, and materials science. This compound is characterized by its unique structure and properties, making it a valuable component in a wide range of applications. In this article, we will delve into the chemical properties, synthesis methods, and recent research developments surrounding propyl 2,2-dimethylpropanoate.

Chemical Structure and Properties

Propyl 2,2-dimethylpropanoate is an ester derived from 2,2-dimethylpropanoic acid and propanol. Its molecular formula is C8H16O2, and it has a molecular weight of approximately 144.21 g/mol. The compound features a branched alkyl chain with a tert-butyl group attached to the carboxylic acid moiety, which imparts unique physical and chemical properties. These properties include:

  • Solubility: Propyl 2,2-dimethylpropanoate is soluble in most organic solvents but has limited solubility in water.
  • Vapor Pressure: The compound has a relatively low vapor pressure at room temperature, making it suitable for applications requiring low volatility.
  • Stability: It is stable under normal conditions and does not readily undergo decomposition or degradation.
  • Toxicity: While specific toxicity data may vary, propyl 2,2-dimethylpropanoate is generally considered to have low toxicity when handled properly.

Synthesis Methods

The synthesis of propyl 2,2-dimethylpropanoate can be achieved through several methods, each with its own advantages and limitations. One common approach involves the esterification reaction between 2,2-dimethylpropanoic acid and propanol in the presence of an acid catalyst. This reaction can be represented by the following equation:

C6H14O2 + C3H8O → C8H16O2

In recent years, researchers have explored alternative synthetic routes to improve yield and reduce environmental impact. For example, green chemistry approaches using biocatalysts or microwave-assisted synthesis have shown promise in enhancing the efficiency and sustainability of the production process.

Analytical Techniques

The accurate identification and quantification of propyl 2,2-dimethylpropanoate are crucial for quality control and research purposes. Various analytical techniques are employed to achieve this goal:

  • Gas Chromatography (GC): GC is a widely used method for the separation and quantification of volatile organic compounds like propyl 2,2-dimethylpropanoate. It provides high sensitivity and resolution.
  • Liquid Chromatography (LC):
  • Mass Spectrometry (MS): This technique is often coupled with GC or LC to provide detailed structural information about the compound.
  • Nuclear Magnetic Resonance (NMR) Spectroscopy: NMR is a powerful tool for confirming the structure of organic compounds by analyzing their nuclear spin interactions.

These analytical methods collectively ensure that the purity and identity of propyl 2,2-dimethylpropanoate are accurately determined.

Applications in Pharmaceuticals and Materials Science

The unique properties of propyl 2,2-dimethylpropanoate make it a valuable component in various applications:

  • Pharmaceuticals: The compound can be used as an intermediate in the synthesis of pharmaceuticals due to its stability and reactivity. Recent studies have explored its potential as a precursor for novel drug molecules with improved bioavailability and therapeutic efficacy.
  • Materials Science: In materials science, propyl 2,2-dimethylpropanoate is utilized as a solvent or plasticizer in polymer formulations. Its low volatility and high solvency make it suitable for applications requiring stable performance under various conditions.
  • .
.
    .
      .
        .
          .
        .
      .
    .
.
Recommended suppliers
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen