Cas no 16630-91-4 (2-Methylheptanal)
2-Methylheptanal Chemical and Physical Properties
Names and Identifiers
-
- Heptanal, 2-methyl-
- 2-methylheptan-1-al
- 2-methylheptanal
- Einecs 240-685-5
- NS00052341
- methylheptanal
- DTXSID60937186
- starbld0008961
- 2-Methylheptanal #
- AKOS006324772
- SCHEMBL277790
- FT-0696992
- 16630-91-4
- 2-METHYL HEPTALDEHYDE
- 2-Methylheptanal
-
- Inchi: 1S/C8H16O/c1-3-4-5-6-8(2)7-9/h7-8H,3-6H2,1-2H3
- InChI Key: DHEKCFIOOSCJRW-UHFFFAOYSA-N
- SMILES: O=CC(C)CCCCC
Computed Properties
- Exact Mass: 128.12018
- Monoisotopic Mass: 128.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 69
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 2.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.8310 (estimate)
- Melting Point: 13.5°C (estimate)
- Boiling Point: 167.67°C (estimate)
- Refractive Index: 1.4163 (estimate)
- PSA: 17.07
2-Methylheptanal Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M311840-250mg |
2-Methylheptanal |
16630-91-4 | 250mg |
$184.00 | 2023-05-17 | ||
| TRC | M311840-2.5g |
2-Methylheptanal |
16630-91-4 | 2.5g |
$ 1200.00 | 2023-09-07 |
2-Methylheptanal Related Literature
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1. Polymer-supported chain homologationSteven L. Regen,Mitsuo Kodomari J. Chem. Soc. Chem. Commun. 1987 1428
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Sergio Rojas,Sonia Murcia-Mascarós,Pilar Terreros,José Luis García Fierro New J. Chem. 2001 25 1430
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Helen J. Martin,Svetlana Riazanskaia,C. L. Paul Thomas Analyst 2012 137 3627
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4. Remote stereocontrol by utilizing intramolecular carbonyl reduction with boranesToshiro Harada,Yasuhiro Matsuda,Satoru Imanaka,Akira Oku J. Chem. Soc. Chem. Commun. 1990 1641
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5. Cationic dinuclear rhodium complexes as catalyst precursors for the hydroformylation of alkenestJ. Carles Bayón,Pedro Esteban,Julio Real,Carmen Claver,Aurora Ruiz J. Chem. Soc. Dalton Trans. 1989 1579
Additional information on 2-Methylheptanal
2-Methylheptanal (CAS No. 16630-91-4): An Overview of Its Properties, Applications, and Recent Research
2-Methylheptanal, with the CAS number 16630-91-4, is a versatile organic compound that has garnered significant attention in various fields, including chemical synthesis, flavor and fragrance development, and pharmaceutical research. This aldehyde is characterized by its distinctive molecular structure, which consists of a seven-carbon chain with a methyl group at the second position and an aldehyde functional group at the terminal end. The unique combination of these structural elements imparts 2-Methylheptanal with a range of chemical and physical properties that make it a valuable compound in both academic and industrial settings.
The molecular formula of 2-Methylheptanal is C8H16O, and its molecular weight is approximately 128.21 g/mol. The compound is a colorless liquid at room temperature with a characteristic odor. Its boiling point is around 157°C, and it has a density of about 0.83 g/cm3. These physical properties make it suitable for various applications where precise control over volatility and solubility is required.
In the realm of chemical synthesis, 2-Methylheptanal serves as an important intermediate in the production of more complex molecules. Its reactivity, particularly at the aldehyde functional group, allows for a wide range of transformations, including reduction to alcohols, oxidation to carboxylic acids, and condensation reactions to form more complex organic structures. These synthetic pathways are crucial in the development of new materials and compounds for various industries.
The flavor and fragrance industry is another significant area where 2-Methylheptanal finds extensive use. Its distinctive aroma makes it a valuable component in the formulation of perfumes, colognes, and other fragrance products. Additionally, it contributes to the flavor profiles of food products, enhancing the sensory experience by providing notes that are often described as fruity or floral. Recent research has focused on optimizing the production methods for 2-Methylheptanal to ensure consistent quality and cost-effectiveness in these applications.
In pharmaceutical research, 2-Methylheptanal has been explored for its potential therapeutic properties. Studies have investigated its effects on various biological systems, including its interactions with enzymes and receptors. For instance, research published in the Journal of Medicinal Chemistry has shown that derivatives of 2-Methylheptanal exhibit promising anti-inflammatory properties. These findings suggest that further exploration could lead to the development of new drugs for treating inflammatory conditions.
The environmental impact of compounds like 2-Methylheptanal is also an important consideration in their use and production. Recent studies have focused on developing more sustainable and eco-friendly methods for synthesizing this compound. Green chemistry principles are being applied to minimize waste generation and reduce the use of hazardous reagents. These efforts not only align with global sustainability goals but also enhance the overall efficiency and safety of industrial processes.
In conclusion, 2-Methylheptanal (CAS No. 16630-91-4) is a multifaceted compound with a wide range of applications across various industries. Its unique chemical properties make it an essential component in chemical synthesis, flavor and fragrance development, and pharmaceutical research. Ongoing research continues to uncover new possibilities for its use, driven by advancements in synthetic methods and a growing understanding of its biological activities. As the demand for sustainable and innovative solutions increases, compounds like 2-Methylheptanal will likely play an increasingly important role in shaping the future of these fields.
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