Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:10:41 UTC |
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Update date | 2018-05-29 01:04:58 UTC |
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Primary ID | FDB013399 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Sulfur dioxide |
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Description | Sulfur dioxide, also known as [SO2] or R-764, belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'. Sulfur dioxide is a bitter tasting compound. Based on a literature review a significant number of articles have been published on Sulfur dioxide. |
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CAS Number | 7446-09-5 |
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Structure | |
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Synonyms | Synonym | Source |
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[SO2] | ChEBI | R-764 | ChEBI | Schwefel(IV)-oxid | ChEBI | Schwefeldioxid | ChEBI | SO2 | ChEBI | Sulfurous anhydride | ChEBI | Sulfurous oxide | ChEBI | Sulphur dioxide | ChEBI | Sulphurous anhydride | Generator | Sulphurous oxide | Generator | Anhydride, sulfurous | HMDB | Dioxide, sulfur | HMDB | Dioxidosulfur | HMDB | e220 | HMDB | FEMA 3039 | HMDB | Fermenicide liquid | HMDB | Fermenicide powder | HMDB | Oxosulfane oxide | HMDB | Siarki dwutlenek | HMDB | Sulfur dioxide (NF) | HMDB | Sulfur dioxide (so2) | HMDB | Sulfur dioxide (so2) 10% by volume or more so2 | HMDB | Sulfur oxide | HMDB | Sulfur oxide (so2) | HMDB | Sulfur superoxide | HMDB | Sulfur-dioxide | HMDB | Sulfurous acid anhydride | HMDB | Surfur dioxide (anhydrous) | HMDB | E220 | db_source | Sulfur dioxide | biospider | Sulfur dioxide (SO2) | biospider | Sulfur dioxide (SO2) 10% by volume or more SO2 | biospider | Sulfur dioxide [UN1079] [Poison gas] | biospider | Sulfur oxide (SO2) | db_source |
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Predicted Properties | |
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Chemical Formula | O2S |
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IUPAC name | (oxo-λ⁴-sulfanylidene)oxidane |
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InChI Identifier | InChI=1S/O2S/c1-3-2 |
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InChI Key | RAHZWNYVWXNFOC-UHFFFAOYSA-N |
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Isomeric SMILES | O=S=O |
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Average Molecular Weight | 64.064 |
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Monoisotopic Molecular Weight | 63.961899934 |
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Classification |
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Description | Belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'. |
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Kingdom | Inorganic compounds |
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Super Class | Homogeneous non-metal compounds |
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Class | Other non-metal organides |
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Sub Class | Other non-metal oxides |
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Direct Parent | Other non-metal oxides |
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Alternative Parents | |
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Substituents | - Other non-metal oxide
- Inorganic oxide
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Molecular Framework | Not Available |
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External Descriptors | |
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Ontology |
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Disposition | Source: |
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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 | O 49.95%; S 50.05% | DFC |
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Melting Point | Mp -75.48° | DFC |
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Boiling Point | Bp -10.02° | DFC |
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Experimental Water Solubility | 107 mg/mL at 21 oC | VENABLE,CS & FUWA,T (1922) |
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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 | Sulfur dioxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03di-9000000000-bbfabf900d287a000b60 | Spectrum | Predicted GC-MS | Sulfur dioxide, 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, Positive | splash10-03di-9000000000-5b7f4b63a1332198f1dd | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-9000000000-5b7f4b63a1332198f1dd | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-9000000000-5b7f4b63a1332198f1dd | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-9000000000-6b67d68ad3886a960ba6 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-9000000000-6b67d68ad3886a960ba6 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-9000000000-6b67d68ad3886a960ba6 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-9000000000-2c4a3db8921d94d7f526 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-9000000000-2c4a3db8921d94d7f526 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-9000000000-2c4a3db8921d94d7f526 | Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 1087 |
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ChEMBL ID | CHEMBL1235997 |
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KEGG Compound ID | C09306 |
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Pubchem Compound ID | 1119 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 18422 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB34834 |
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CRC / DFC (Dictionary of Food Compounds) ID | HVF10-P:HVF10-P |
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EAFUS ID | 3575 |
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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 | SO2 |
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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 | Not Available |
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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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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 | 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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