Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:12:17 UTC |
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Update date | 2015-07-20 23:26:53 UTC |
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Primary ID | FDB016194 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Potassium 2-(1'-ethoxy) ethoxypropanoate |
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Description | Potassium 2-(1'-ethoxy) ethoxypropanoate belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid. Potassium 2-(1'-ethoxy) ethoxypropanoate is an extremely weak basic (essentially neutral) compound (based on its pKa). Potassium 2-(1'-ethoxy) ethoxypropanoate is an odorless tasting compound. |
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CAS Number | 100743-68-8 |
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Structure | |
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Synonyms | Synonym | Source |
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Potassium 2-(1'-ethoxy) ethoxypropanoic acid | Generator | FEMA 3752 | HMDB | Potassium lactate 1-ethoxyethyl ether | HMDB | Potassium 2-(1-ethoxyethoxy)propanoic acid | Generator | Potassium 2-(1'-ethoxy) ethoxypropanoate | manual | Potassium Lactate 1-ethoxyethyl Ether | biospider |
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Predicted Properties | |
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Chemical Formula | C7H13KO4 |
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IUPAC name | potassium 2-(1-ethoxyethoxy)propanoate |
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InChI Identifier | InChI=1S/C7H14O4.K/c1-4-10-6(3)11-5(2)7(8)9;/h5-6H,4H2,1-3H3,(H,8,9);/q;+1/p-1 |
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InChI Key | KUWQDXACCYCNOY-UHFFFAOYSA-M |
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Isomeric SMILES | [K+].CCOC(C)OC(C)C([O-])=O |
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Average Molecular Weight | 200.274 |
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Monoisotopic Molecular Weight | 200.045090765 |
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Classification |
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Description | Belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Carboxylic acid derivatives |
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Direct Parent | Carboxylic acid salts |
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Alternative Parents | |
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Substituents | - Carboxylic acid salt
- Organic alkali metal salt
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Acetal
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic potassium salt
- Organic salt
- Organic zwitterion
- 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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Ontology |
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Disposition | Source: Biological location: |
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Role | Biological role: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Potassium 2-(1'-ethoxy) ethoxypropanoate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0229-9400000000-2797506edc9ebcb7b63a | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0fia-8920000000-3a27b5a12b1a2b190a85 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00ds-9200000000-d02063948c7ef5497ec8 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dj-9000000000-3f83f40764ee05ee45b5 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-006t-5900000000-9cbc1a8920d04ec85774 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-9200000000-25e78072c83ee4fbab06 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00du-9000000000-c9e998d82faf99d65833 | 2017-09-01 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 14733157 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 23720076 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB37192 |
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CRC / DFC (Dictionary of Food Compounds) ID | KOO60-H:KOQ38-Q |
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EAFUS ID | 3122 |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | rw1038071 |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Flavor | Citations |
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odorless |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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