Cas no 5129-35-1 (propyl 2,2-dimethylpropanoate)
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
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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. .
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