Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:09:26 UTC |
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Update date | 2019-11-26 03:04:30 UTC |
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Primary ID | FDB011046 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Ethyl propyl disulfide |
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Description | Ethyl propyl disulfide belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups. Ethyl propyl disulfide is a garlic, green, and onion tasting compound. Ethyl propyl disulfide has been detected, but not quantified in, several different foods, such as herbs and spices, garden onion (var.), fruits, red onion, and onion-family vegetables. This could make ethyl propyl disulfide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Ethyl propyl disulfide. |
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CAS Number | 30453-31-7 |
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Structure | |
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Synonyms | Synonym | Source |
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Ethyl propyl disulphide | Generator | 1-(Ethyldisulfanyl)propane | HMDB | 3,4-Dithiaheptane | HMDB | Disulfide, ethyl propyl | HMDB | Ethyl N-propyl disulfide | HMDB | Ethyl N-propyl disulphide | HMDB | 1-(Ethyldisulphanyl)propane | Generator | Ethyl n-propyl disulfide | biospider | Ethyl n-propyl disulphide | biospider |
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Predicted Properties | |
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Chemical Formula | C5H12S2 |
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IUPAC name | 1-(ethyldisulfanyl)propane |
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InChI Identifier | InChI=1S/C5H12S2/c1-3-5-7-6-4-2/h3-5H2,1-2H3 |
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InChI Key | SNGRPWPVGSSZGV-UHFFFAOYSA-N |
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Isomeric SMILES | CCCSSCC |
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Average Molecular Weight | 136.279 |
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Monoisotopic Molecular Weight | 136.038041764 |
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Classification |
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Description | Belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups. |
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Kingdom | Organic compounds |
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Super Class | Organosulfur compounds |
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Class | Organic disulfides |
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Sub Class | Dialkyldisulfides |
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Direct Parent | Dialkyldisulfides |
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Alternative Parents | |
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Substituents | - Dialkyldisulfide
- Sulfenyl compound
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Route of exposure: Biological location: 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 | C 44.07%; H 8.87%; S 47.06% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Bp7 47-48° | DFC |
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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 propyl disulfide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-004l-9100000000-02daccfd2a60df67cf26 | Spectrum | Predicted GC-MS | Ethyl propyl 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 | splash10-000i-5900000000-3bfb34fc4f8e07b63586 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-9200000000-fc40d16103721494f4d0 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01tc-9000000000-18ea70ea778ce16c23f8 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4u-4900000000-1f794af9ebdcdb000773 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-08ou-9100000000-9cd63a4740b21ca606c4 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-d1b2b8230d8fd61f992a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-002f-9100000000-ba3432ae9938b766e5b3 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03fr-9000000000-ed288b2a6506124ffc35 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03fu-9000000000-eda795fc7bb1a38c5a6e | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0c2i-9200000000-97befbb13dcbf79e7af9 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9000000000-bfbefa2b90f58c648f4f | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-877d47559c93aac25684 | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 32539 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 35349 |
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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 | HMDB33053 |
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CRC / DFC (Dictionary of Food Compounds) ID | FYK68-K:FYK68-K |
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EAFUS ID | 1302 |
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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 | rw1582981 |
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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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sulfurous |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| garlic |
- 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.
| onion |
- 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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