Record Information |
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Version | 2.0 |
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Creation Date | 2012-05-31 14:50:19 -0600 |
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Update Date | 2015-06-03 17:20:17 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Ethyl-2-methylacetoacetate |
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Description | Ethyl-2-methylacetoacetate belongs to the class of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid. (inferred from compound structure) |
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Structure | |
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Synonyms: | - 2-Methylacetoacetate ethyl ester
- 2-Methylacetoacetic acid ethyl ester
- Acetoacetate, 2-methyl-, ethyl ester
- Acetoacetic acid, 2-methyl-, ethyl ester
- Butanoate, 2-methyl-3-oxo-, ethyl ester
- Butanoic acid, 2-methyl-3-oxo-, ethyl ester
- Ethyl 2-acetylpropionate
- Ethyl 2-acetylpropionic acid
- Ethyl 2-methyl-3-oxobutanoate
- Ethyl 2-methyl-3-oxobutanoic acid
- Ethyl 2-methyl-3-oxobutyrate
- Ethyl 2-methyl-3-oxobutyric acid
- Ethyl 2-methylacetoacetate
- Ethyl 2-methylacetoacetic acid
- Ethyl ester of 2-methyl-3-oxobutanoate
- Ethyl ester of 2-methyl-3-oxobutanoic acid
- Ethyl methylacetoacetate
- Ethyl methylacetoacetic acid
- Ethyl-2-methylacetoacetic acid
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Chemical Formula: | C7H12O3 |
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Weight: | Average: 144.1684 Monoisotopic: 144.07864425 |
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InChI Key: | FNENWZWNOPCZGK-RXMQYKEDSA-N |
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InChI: | InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3/t5-/m1/s1 |
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CAS number: | 609-14-3 |
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IUPAC Name: | ethyl (2R)-2-methyl-3-oxobutanoate |
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Traditional IUPAC Name: | ethyl (2R)-2-methyl-3-oxobutanoate |
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SMILES: | [H][C@@](C)(C(C)=O)C(=O)OCC |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Keto acids and derivatives |
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Sub Class | Beta-keto acids and derivatives |
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Direct Parent | Beta-keto acids and derivatives |
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Alternative Parents | |
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Substituents | - Fatty acid ester
- Beta-keto acid
- Fatty acyl
- 1,3-dicarbonyl compound
- Ketone
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State: | Solid |
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Charge: | 0 |
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Melting point: | Boiling Pt : 187 °C |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | Not Available |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | |
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References |
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References: | - Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
- van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
- Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | |
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