Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:08:08 UTC |
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Update date | 2019-11-26 03:02:46 UTC |
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Primary ID | FDB008544 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 2-Methoxy-3-(2-methylpropyl)pyrazine |
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Description | 2-Methoxy-3-(2-methylpropyl)pyrazine belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring. 2-Methoxy-3-(2-methylpropyl)pyrazine is a bell, earth, and galbanum tasting compound. 2-Methoxy-3-(2-methylpropyl)pyrazine has been detected, but not quantified in, several different foods, such as pepper (c. frutescens), peppers (Capsicum annuum), herbs and spices, common grapes (Vitis vinifera), and orange bell peppers (Capsicum annuum). This could make 2-methoxy-3-(2-methylpropyl)pyrazine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2-Methoxy-3-(2-methylpropyl)pyrazine. |
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CAS Number | 24683-00-9 |
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Structure | |
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Synonyms | Synonym | Source |
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1DZK | HMDB | 2-Isobutyl-3-methoxy-pyrazine | HMDB | 2-Isobutyl-3-methoxypyrazine | HMDB | 2-Isobutyl-3-methoxypyrazine, 8ci | HMDB | 2-Methoxy-3-(2-methyl-propyl) pyrazine | HMDB | 2-Methoxy-3-(2-methylpropyl)-pyrazine | HMDB | 2-Methoxy-3-isobutylpyrazine | HMDB, MeSH | 3-Isobutyl-2-methoxypyrazine | HMDB, MeSH | 3-Methoxy-2-isobutylpyrazine | HMDB | FEMA 3132 | HMDB | Galbazine | HMDB | IBMP | HMDB | PRZ | HMDB | Pyrazine, 2-(2-methylpropyl)-3-methoxy | HMDB | Pyrazine, 2-isobutyl-3-methoxy | HMDB | Pyrazine, 2-methoxy, 3-isobutyl | HMDB | Pyrazine, 3-methoxy-2-(2-methylpropyl) | HMDB | 1dzk | biospider | 2-Isobutyl-3-methoxypyrazine, 8CI | db_source | 2-methoxy-3-(2-methyl-propyl) pyrazine | biospider | 3-methoxy-2-isobutylpyrazine | biospider | Pyrazine, 2-isobutyl-3-methoxy- | biospider | Pyrazine, 2-methoxy-3-(2-methylpropyl)- | biospider | pyrazine, 2-methoxy, 3-isobutyl | biospider |
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Predicted Properties | |
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Chemical Formula | C9H14N2O |
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IUPAC name | 2-methoxy-3-(2-methylpropyl)pyrazine |
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InChI Identifier | InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3 |
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InChI Key | UXFSPRAGHGMRSQ-UHFFFAOYSA-N |
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Isomeric SMILES | COC1=NC=CN=C1CC(C)C |
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Average Molecular Weight | 166.2203 |
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Monoisotopic Molecular Weight | 166.11061308 |
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Classification |
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Description | Belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Diazines |
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Sub Class | Pyrazines |
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Direct Parent | Methoxypyrazines |
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Alternative Parents | |
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Substituents | - Methoxypyrazine
- Alkyl aryl ether
- Heteroaromatic compound
- Azacycle
- Ether
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen 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 | Route of exposure: 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 65.03%; H 8.49%; N 16.85%; O 9.63% | DFC |
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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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EI-MS | Mass Spectrum (Electron Ionization) | splash10-00di-9800000000-0379fe3fc6cfe11798f3 | 2015-03-01 | View Spectrum | Predicted GC-MS | 2-Methoxy-3-(2-methylpropyl)pyrazine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-006x-9800000000-b2a76f846c9e6cdec480 | Spectrum | Predicted GC-MS | 2-Methoxy-3-(2-methylpropyl)pyrazine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | 2-Methoxy-3-(2-methylpropyl)pyrazine, 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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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0900000000-f195deae40b120d03a2b | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0aor-7900000000-ce68c6d37c62fbafe643 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a59-9100000000-fdcbed3bfb97241ae911 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0900000000-f72a38590d903075c866 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-2900000000-8a6a0e5c0c27143a34f1 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9300000000-02b43dab5d60f685355e | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0900000000-36e5a9d0812fa5b880dc | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-1900000000-a3ae70c6cad1c5005bd3 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-1252189c65cc284d2024 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0900000000-d120bc32d136e668f60a | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-2900000000-b41ddec9414daee33f17 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014l-9100000000-4674a4a6a16f025751ab | 2021-09-24 | View Spectrum |
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NMR | Type | Description | | View |
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1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum |
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External Links |
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ChemSpider ID | 30208 |
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ChEMBL ID | CHEMBL97355 |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 32594 |
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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 | DB04512 |
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HMDB ID | HMDB31860 |
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CRC / DFC (Dictionary of Food Compounds) ID | DNB60-O:DNB60-O |
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EAFUS ID | 1874 |
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Dr. Duke ID | 3-ISOBUTYL-2-METHOXYPYRAZINE|2-METHOXY-3-ISOBUTYL-PYRAZINE |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | PRZ |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | 24683-00-9 |
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GoodScent ID | rw1013601 |
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SuperScent ID | 32594 |
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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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earth |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
| spice |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
| green pepper |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
| pepper |
- Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| green |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| bell |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| pea |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| galbanum |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| greenpepper |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
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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 | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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