| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-05-02 11:43:47 UTC |
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| Update date | 2018-05-04 14:27:54 UTC |
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| FoodComEx ID | PC001154 |
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| FoodDB Record | FDB008536 |
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| Chemical Information |
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| Name | 2-Methoxy-3-methylpyrazine |
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| Description | Reported in sherry and krill. Flavouring ingredient, especies for coffee. Main component (75%) of *FEMA 3183*, a mixture with its regioisomers. 2-Methoxy-3-methylpyrazine is found in burdock and fenugreek. |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-Methoxy-3-methylpyrazine | db_source | | Methoxymethylpyrazine | biospider | | Pyrazine, 2-methyl-3-methoxy | biospider |
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| Chemical Formula | C6H8N2O |
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| IUPAC name | 2-methoxy-3-methylpyrazine |
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| InChI Identifier | InChI=1S/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3 |
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| InChI Key | VKJIAEQRKBQLLA-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=C(C)N=CC=N1 |
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| Average Molecular Weight | 124.1405 |
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| Monoisotopic Molecular Weight | 124.063662888 |
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| Chemical Taxonomy |
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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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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | 1.24 | YAMAGAMI,C ET AL. (1991) |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | 1 to 2 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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| Storage Conditions | 4°C |
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| Stability | Not Available |
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| Purity | unknown |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Contact Name | Contact Institution | Contact Email |
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| Augustin Scalbert | International Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372 | scalberta@iarc.fr |
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| Commercial Vendors |
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| Not Available |
