Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:08:04 UTC |
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Update date | 2015-07-20 22:22:07 UTC |
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Primary ID | FDB008403 |
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Secondary Accession Numbers | |
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Chemical Information |
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FooDB Name | Ethyl maltol |
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Description | Ethyl maltol belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Ethyl maltol is a sweet, bitter, and candy tasting compound. Based on a literature review a significant number of articles have been published on Ethyl maltol. |
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CAS Number | 4940-11-8 |
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Structure | |
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Synonyms | Synonym | Source |
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2-Ethyl-3-hydroxy-4-pyrone | HMDB | 2-Ethylpyromeconic acid | HMDB | 3-Hydroxy-2-ethyl-1,4-pyrone | HMDB | 3-Hydroxy-2-ethyl-4-pyrone | HMDB, MeSH | 3-Hydroxy-2-ethyl-4H-pyran-4-one | HMDB | 3-Hydroxy-2-ethyl-laquo gammaraquo -pyrone | HMDB | e637 | HMDB | FEMA 3487 | HMDB | Ilekudinoside a | HMDB | Veltol plus | HMDB | Ethylmaltol | MeSH, HMDB | Indium ethylmaltol | MeSH, HMDB | 3-Hydroxy-2-ethyl-«gamma»-pyrone | biospider | E637 | db_source | Ethyl maltol | db_source |
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Predicted Properties | |
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Chemical Formula | C7H8O3 |
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IUPAC name | 2-ethyl-3-hydroxy-4H-pyran-4-one |
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InChI Identifier | InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3 |
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InChI Key | YIKYNHJUKRTCJL-UHFFFAOYSA-N |
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Isomeric SMILES | CCC1=C(O)C(=O)C=CO1 |
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Average Molecular Weight | 140.1366 |
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Monoisotopic Molecular Weight | 140.047344122 |
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Classification |
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Description | Belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyrans |
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Sub Class | Pyranones and derivatives |
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Direct Parent | Pyranones and derivatives |
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Alternative Parents | |
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Substituents | - Pyranone
- Heteroaromatic compound
- Cyclic ketone
- Oxacycle
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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 | Industrial application: |
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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 | C 60.00%; H 5.75%; O 34.25% | DFC |
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Melting Point | Mp 90-91° | DFC |
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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 | Ethyl maltol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-01vo-7900000000-76867d3703f3c854f893 | Spectrum | Predicted GC-MS | Ethyl maltol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00dj-8910000000-f84883a6e552d25dbb8f | Spectrum | Predicted GC-MS | Ethyl maltol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0900000000-e4ed3eb28b3f1958c103 | 2021-09-20 | View Spectrum | MS/MS | LC-MS/MS Spectrum - 40V, Positive | splash10-00di-9000000000-8a4bd0cc447badd31408 | 2021-09-20 | View Spectrum | MS/MS | LC-MS/MS Spectrum - 20V, Positive | splash10-004l-1900000000-8a11dc4b0e615d9e43a9 | 2021-09-20 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0900000000-9b8b6ea9166c562f4c04 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-2900000000-352cec1e0913cc4ce95e | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9100000000-7ef4d63ccf78564b6830 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-1900000000-80cc07e29097652798f5 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-052r-5900000000-512dc846e01abb868b1d | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0k96-9100000000-3c73ccd7471d0f22b2ce | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-1900000000-769dae173863b66d0676 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9800000000-d71174a6586b3aec630d | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ktf-9000000000-4bf79e9b1f58b6f43b51 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-006x-0900000000-01450ae969df68fc3458 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-9400000000-e5b1f23d3f9cf5044141 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0f6x-9000000000-e33841ce2e31d06b12e8 | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 19804 |
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ChEMBL ID | CHEMBL121557 |
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KEGG Compound ID | C20362 |
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Pubchem Compound ID | 21059 |
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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 | HMDB31735 |
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CRC / DFC (Dictionary of Food Compounds) ID | DHQ34-Q:DHQ34-Q |
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EAFUS ID | 1246 |
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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 | rw1004171 |
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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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sweet |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| caramel |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| jam |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| strawberry |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| cotton |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| candy |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| bitter |
- Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
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Files |
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MSDS | show |
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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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