Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:08:07 UTC |
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Update date | 2015-07-20 22:22:55 UTC |
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Primary ID | FDB008501 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Diphenyl disulfide |
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Description | Diphenyl disulfide belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Diphenyl disulfide is a burnt, earthy, and sulfurous tasting compound. Based on a literature review a significant number of articles have been published on Diphenyl disulfide. |
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CAS Number | 882-33-7 |
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Structure | |
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Synonyms | Synonym | Source |
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Diphenyl disulphide | Generator | 12-Diphenyldisulfane | ChEMBL, HMDB | 12-Diphenyldisulphane | Generator, HMDB | (Phenyldisulfanyl)benzene | HMDB | 1,1'-Dithiodibenzene | HMDB | Biphenyl disulfide | HMDB | Diphenyldisulfide | HMDB | Disulfide diphenyl | HMDB | Disulfide, diphenyl | HMDB | Dithiobisbenzene | HMDB | FEMA 3225 | HMDB | Phenyl disulfide | HMDB | Phenyl disulfide, 8ci | HMDB | Phenyldisulfanyl-benzene | HMDB | Phenyldithiobenzene | HMDB | (Phenyldisulphanyl)benzene | Generator | Diphenyl disulfide | MeSH | (phenyldisulfanyl)benzene | biospider | 1,1'-dithiodibenzene | biospider | 2-Diphenyldisulphane | Generator | Phenyl disulfide, 8CI | db_source |
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Predicted Properties | |
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Chemical Formula | C12H10S2 |
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IUPAC name | (phenyldisulfanyl)benzene |
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InChI Identifier | InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H |
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InChI Key | GUUVPOWQJOLRAS-UHFFFAOYSA-N |
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Isomeric SMILES | S(SC1=CC=CC=C1)C1=CC=CC=C1 |
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Average Molecular Weight | 218.338 |
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Monoisotopic Molecular Weight | 218.0223917 |
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Classification |
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Description | Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Not Available |
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Direct Parent | Benzene and substituted derivatives |
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Alternative Parents | |
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Substituents | - Monocyclic benzene moiety
- Organic disulfide
- Sulfenyl compound
- Hydrocarbon derivative
- Organosulfur compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Biological location: Source: |
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Role | Industrial application: |
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Physico-Chemical Properties |
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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 66.01%; H 4.62%; S 29.37% | DFC |
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Melting Point | Mp 62-63° | DFC |
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Boiling Point | Bp15 192° | DFC |
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Experimental Water Solubility | Not Available | |
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Experimental logP | 4.41 | HANSCH,C ET AL. (1995) |
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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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GC-MS | Diphenyl disulfide, non-derivatized, GC-MS Spectrum | splash10-066r-4930000000-114dfaf5f4b91fdb223f | Spectrum | GC-MS | Diphenyl disulfide, non-derivatized, GC-MS Spectrum | splash10-066r-9830000000-b8d959ffbb40a50bbd74 | Spectrum | GC-MS | Diphenyl disulfide, non-derivatized, GC-MS Spectrum | splash10-066r-8950000000-606fa4f2d89db624bc13 | Spectrum | GC-MS | Diphenyl disulfide, non-derivatized, GC-MS Spectrum | splash10-066r-4930000000-114dfaf5f4b91fdb223f | Spectrum | GC-MS | Diphenyl disulfide, non-derivatized, GC-MS Spectrum | splash10-066r-9830000000-b8d959ffbb40a50bbd74 | Spectrum | GC-MS | Diphenyl disulfide, non-derivatized, GC-MS Spectrum | splash10-066r-8950000000-606fa4f2d89db624bc13 | Spectrum | Predicted GC-MS | Diphenyl disulfide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-016r-9460000000-dff376c92efa059c2acc | Spectrum | Predicted GC-MS | Diphenyl disulfide, 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 | splash10-014i-0290000000-4b09e98c2688ed8c9ec4 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-0190000000-50c6f5dc2449f5216e65 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0pc0-9500000000-8e47504e67d74081ffe3 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0090000000-de3420950415685a9201 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-0930000000-5f449604f0be64ddf20f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-066r-1980000000-f6bccfb9ae3fe4233207 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0090000000-9d156de59fb75b41f6ac | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-2290000000-3785bf87e7f1ce002b4f | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004l-9500000000-103f2e55314a940779c3 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0090000000-90256a71e554c8e9524e | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-0090000000-90256a71e554c8e9524e | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-092c-2930000000-7cbd7eb63aac24421f11 | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 12861 |
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ChEMBL ID | CHEMBL462861 |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 13436 |
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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 | HMDB31823 |
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CRC / DFC (Dictionary of Food Compounds) ID | DMH75-T:DMH75-T |
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EAFUS ID | 3003 |
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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 | rw1021211 |
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SuperScent ID | Not Available |
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Wikipedia ID | Diphenyl_disulfide |
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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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sulfurous |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| earthy |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| burnt |
- 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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