Cas no 584-27-0 (2-(Propan-2-ylidene)butanedioic Acid)
2-(Propan-2-ylidene)butanedioic Acid Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-(1-methylethylidene)-
- 4,4-DIMETHYL ITACONIC ACID
- 2-Isopropylidenebutanedioic acid
- Isopropyliden-bernsteinsaeure
- ISOPROPYLIDENE SUCCINIC ACID
- Teraconsaeure
- 2-propan-2-ylidenebutanedioic acid
- 584-27-0
- 2-(methylethylidene)butanedioic acid
- FT-0695606
- SCHEMBL290310
- AKOS006274814
- 2-(1-Methylethylidene)butanedioic acid
- Teraconsaure
- 2-(propan-2-ylidene)succinic acid
- Isopropylidene-succinic acid
- 2-(Propan-2-ylidene)butanedioic Acid
-
- Inchi: 1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3H2,1-2H3,(H,8,9)(H,10,11)
- InChI Key: GYXGAEAOIFNGAE-UHFFFAOYSA-N
- SMILES: OC(/C(/CC(=O)O)=C(\C)/C)=O
Computed Properties
- Exact Mass: 158.05800
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 211
- 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: 0.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.1229 (rough estimate)
- Melting Point: 160.5°C
- Boiling Point: 203.22°C (rough estimate)
- Refractive Index: 1.4610 (estimate)
- PSA: 74.60000
- LogP: 0.88210
2-(Propan-2-ylidene)butanedioic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | P184471-100mg |
2-(Propan-2-ylidene)butanedioic Acid |
584-27-0 | 100mg |
$ 115.00 | 2022-06-03 | ||
| TRC | P184471-500mg |
2-(Propan-2-ylidene)butanedioic Acid |
584-27-0 | 500mg |
$ 475.00 | 2022-06-03 | ||
| TRC | P184471-1g |
2-(Propan-2-ylidene)butanedioic Acid |
584-27-0 | 1g |
$ 730.00 | 2022-06-03 |
2-(Propan-2-ylidene)butanedioic Acid Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Branched fatty acids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Branched fatty acids
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
Additional information on 2-(Propan-2-ylidene)butanedioic Acid
Comprehensive Analysis of 2-(Propan-2-ylidene)butanedioic Acid (CAS No. 584-27-0): Properties, Applications, and Industry Trends
2-(Propan-2-ylidene)butanedioic Acid (CAS No. 584-27-0), also known as itaconic acid dimethyl ester, is a versatile organic compound with a growing presence in industrial and research applications. This unsaturated dicarboxylic acid derivative has garnered attention due to its unique chemical structure, which features a reactive α,β-unsaturated carbonyl group. The compound's molecular formula is C7H10O4, and it exhibits a molecular weight of 158.15 g/mol. Its propenyl succinic acid backbone makes it a valuable intermediate in organic synthesis, particularly for producing polymers, coatings, and specialty chemicals.
In recent years, the demand for bio-based chemicals has surged, driven by environmental concerns and regulatory pressures. 2-(Propan-2-ylidene)butanedioic Acid aligns with this trend, as it can be derived from renewable resources like itaconic acid, a metabolite produced by certain fungi. Researchers are actively exploring its potential in green chemistry applications, such as biodegradable plastics and sustainable adhesives. This focus on sustainability has made CAS No. 584-27-0 a subject of interest in academic publications and patent filings.
The compound's chemical reactivity is a key factor in its utility. The presence of both carboxylic acid and alkene functional groups allows for diverse transformations, including esterification, Michael additions, and polymerization reactions. Industries leverage these properties to create cross-linked polymers with tailored mechanical and thermal characteristics. For instance, it serves as a monomer in the production of water-soluble resins used in textiles and paper coatings. Additionally, its ability to form metal chelates has implications for catalysis and material science.
From a commercial perspective, 2-(Propan-2-ylidene)butanedioic Acid is gaining traction in niche markets. Manufacturers are optimizing synthesis routes to improve yield and purity, addressing common queries like "how to purify 584-27-0" or "scaling up itaconic acid derivatives." Analytical techniques such as HPLC and NMR spectroscopy are critical for quality control, ensuring compliance with industry standards like Reach and FDA guidelines for specific applications.
Emerging research highlights the compound's potential in pharmaceutical intermediates and cosmetic formulations. Its non-toxic profile (when handled properly) and compatibility with biological systems make it suitable for controlled-release drug delivery systems. Furthermore, the cosmetic industry values its pH-adjusting properties and mild exfoliating effects in skincare products. These applications respond to trending searches such as "natural alternatives in cosmetics" and "safe chemical exfoliants."
Storage and handling of CAS No. 584-27-0 require standard laboratory precautions. While not classified as hazardous under normal conditions, it should be stored in a cool, dry place away from strong oxidizers. Material Safety Data Sheets (MSDS) provide detailed protocols, addressing frequent questions like "stability of itaconic acid esters" and "compatibility with common solvents."
In conclusion, 2-(Propan-2-ylidene)butanedioic Acid represents a compelling case study in the intersection of traditional chemistry and innovative applications. As industries prioritize sustainability and functionality, this compound's role is expected to expand, particularly in sectors valuing biodegradability and molecular versatility. Ongoing research into its derivatives and process optimization will likely uncover new opportunities, solidifying its position in the specialty chemicals market.
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