Cas no 13431-57-7 (1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate)
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate
- (3-acetyloxy-2,2-dimethylpropyl) acetate
- (3-acetyloxy-2,2-dimethyl-propyl) acetate
- 1, 2,2-dimethyl-, diacetate
- 1,3-Diacetoxy-2,2-dimethyl-propan
- 1,3-diacetoxy-2,2-dimethyl-propane
- 1,3-Propanediol, 2,2-dimethyl-, diacetate
- 2,2-dimethylpropan-1,3-diyldiacetat
- 2,2-dimethylpropane-1,3-diyl diacetate
- 2,3-propanediol diacetate
- AC1L35G0
- AC1Q631I
- AR-1K6813
- CTK4B9096
- Neopentyl glycol diacetate
- NSC69071
- 1,3-Diacetoxy-2,2-dimethylpropane
- 2,2-Dimethylpropane-1,3-diol diacetate
- 2,2-Dimethyl-1,3-propanediol diacetate
- 78L90CO7ZF
- DTXSID50158641
- 1,3-Propanediol, 2,2-dimethyl-, 1,3-diacetate
- UNII-78L90CO7ZF
- Q27266674
- 3-(Acetyloxy)-2,2-dimethylpropyl acetate
- 13431-57-7
- SCHEMBL14627793
- NSC-69071
- 3-(Acetyloxy)-2,2-dimethylpropyl acetate #
- ZFFGZCTVZNNVLP-UHFFFAOYSA-N
- NSC 69071
- AI3-05750
-
- Inchi: 1S/C9H16O4/c1-7(10)12-5-9(3,4)6-13-8(2)11/h5-6H2,1-4H3
- InChI Key: ZFFGZCTVZNNVLP-UHFFFAOYSA-N
- SMILES: O(C(C)=O)CC(C)(C)COC(C)=O
Computed Properties
- Exact Mass: 188.10488
- Monoisotopic Mass: 188.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 176
- 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
- Topological Polar Surface Area: 52.6A^2
- XLogP3: 1.2
Experimental Properties
- Density: 1.022
- Boiling Point: 236.7°C at 760 mmHg
- Flash Point: 108°C
- Refractive Index: 1.426
- PSA: 52.6
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | Y1248392-250mg |
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate |
13431-57-7 | 97% | 250mg |
$340 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1248392-1g |
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate |
13431-57-7 | 97% | 1g |
$590 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1248392-5g |
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate |
13431-57-7 | 97% | 5g |
$2110 | 2025-02-20 | |
| eNovation Chemicals LLC | Y1248392-1g |
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate |
13431-57-7 | 97% | 1g |
$620 | 2025-02-20 | |
| eNovation Chemicals LLC | Y1248392-250mg |
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate |
13431-57-7 | 97% | 250mg |
$355 | 2025-02-20 | |
| A2B Chem LLC | AD73088-250mg |
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate |
13431-57-7 | 97% | 250mg |
$160.00 | 2024-04-20 | |
| A2B Chem LLC | AD73088-1g |
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate |
13431-57-7 | 97% | 1g |
$320.00 | 2024-04-20 | |
| A2B Chem LLC | AD73088-5g |
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate |
13431-57-7 | 97% | 5g |
$1195.00 | 2024-04-20 | |
| eNovation Chemicals LLC | Y1248392-5g |
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate |
13431-57-7 | 97% | 5g |
$1995 | 2024-06-07 | |
| 1PlusChem | 1P0080HS-250mg |
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate |
13431-57-7 | 97% | 250mg |
$167.00 | 2025-02-22 |
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
Additional information on 1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate
Introduction to 1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate (CAS No. 13431-57-7) and Its Emerging Applications
1,3-Propanediol,2,2-dimethyl-, 1,3-diacetate, identified by the CAS number 13431-57-7, is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research due to its unique structural properties and versatile applications. This diacetylated derivative of 2,2-dimethyl-1,3-propanediol exhibits distinct chemical characteristics that make it a valuable intermediate in various industrial and scientific processes.
The molecular structure of 1,3-propanediol,2,2-dimethyl-, 1,3-diacetate consists of a propane backbone with two acetate groups attached to the hydroxyl positions. This configuration imparts enhanced stability and reactivity compared to its parent compound, making it particularly useful in synthetic chemistry. The dimethyl substitution at the second carbon further modifies its electronic properties, influencing its interactions with other molecules and its suitability for specific applications.
In recent years, 1,3-propanediol,2,2-dimethyl-, 1,3-diacetate has been explored for its potential in biodegradable polymers and lubricants. Its ability to undergo polymerization reactions while maintaining structural integrity has made it a promising candidate for developing eco-friendly materials. These polymers derived from this compound exhibit favorable mechanical properties and biodegradability, aligning with global trends toward sustainable manufacturing practices.
Moreover, the pharmaceutical industry has shown interest in 1,3-propanediol,2,2-dimethyl-, 1,3-diacetate due to its role as a precursor in synthesizing certain therapeutic agents. Researchers have leveraged its reactive sites to develop novel drug candidates that target various biological pathways. For instance, studies have demonstrated its utility in constructing complex molecular frameworks essential for enzyme inhibition and anti-inflammatory treatments. The diacetylated form enhances solubility and metabolic stability, which are critical factors in drug design.
Recent advancements in green chemistry have highlighted the importance of 1,3-propanediol,2,2-dimethyl-, 1,3-diacetate as a renewable feedstock. Its production from natural sources via fermentation processes aligns with the shift toward bio-based chemicals. This approach not only reduces reliance on petrochemical resources but also minimizes environmental impact. The compound’s compatibility with enzymatic catalysis further underscores its role in sustainable chemical synthesis.
The agrochemical sector has also begun investigating 1,3-propanediol,2,2-dimethyl-, 1,3-diacetate for its potential as a plant growth regulator or pesticide additive. Preliminary studies suggest that derivatives of this compound can enhance crop resistance to pathogens while maintaining low toxicity profiles. Such applications could contribute to improving agricultural yields without compromising ecological balance.
Industrial applications of 1,3-propanediol,2,2-dimethyl-, 1,3-diacetate extend to specialty chemicals and coatings. Its incorporation into formulations improves durability and performance characteristics of paints and varnishes while reducing volatile organic compound (VOC) emissions. This aligns with regulatory standards aimed at minimizing air pollution and promoting healthier indoor environments.
From a research perspective, 1,3-propanediol, , (CAS No.13431-57-7) , its diacetylated derivative, 1,,,
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