| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:44 UTC |
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| Update date | 2017-01-19 02:36:36 UTC |
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| FoodComEx ID | PC000801 |
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| FoodDB Record | FDB003491 |
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| Chemical Information |
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| Name | Dimethyl disulfide |
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| Description | Isolated from garlic oil (Allium sativum), also in onion (Allium cepa), ramsons (Allium ursinum), morello cherry, melon, pineapple, strawberry, wheat bread, cocoa, roasted barley, roasted filberts, roasted peanuts, crispbread, American potato chips, soybean and other foodstuffs. Flavouring ingredient.
Dimethyldisulfide is a volatile organic compound. Methyl disulfide is occasionally found as a volatile component of normal human breath and biofluids. Dimethyldisulfide is one of the representative volatile components found in oral malodor. Dimethyldisulfide concentrations in breath is a practical noninvasive way to assess recent exposure to sulfur compounds in sulfate pulp mills, and therefore it should be applicable to workplaces contaminated. (PMID: 5556886, 14691119, 11236158, 8481097). |
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| CAS Number | 624-92-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (Methyldisulfanyl)methane | HMDB | | (Methyldithio)methane | HMDB | | 2,3-Dithiabutane | db_source | | Dimethyl disulphide | biospider | | Dimethyldisulfide | biospider | | Dimethyldisulphide | Generator | | Disulfide dimethyl | HMDB | | Disulfide, dimethyl | biospider | | DMDS | HMDB | | FEMA 3536 | db_source | | Methyl disulfide | ChEBI | | Methyl disulfide (8CI) | biospider | | Methyl disulphide | Generator | | Methyldisulfanylmethane | biospider | | Methyldisulfide | biospider | | Methyldithiomethane | biospider | | Sulfa-hitech | HMDB | | Sulfa-hitech 0382 | HMDB |
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| Chemical Formula | C2H6S2 |
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| IUPAC name | (methyldisulfanyl)methane |
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| InChI Identifier | InChI=1S/C2H6S2/c1-3-4-2/h1-2H3 |
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| InChI Key | WQOXQRCZOLPYPM-UHFFFAOYSA-N |
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| Isomeric SMILES | CSSC |
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| Average Molecular Weight | 94.199 |
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| Monoisotopic Molecular Weight | 93.991091572 |
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| Chemical Taxonomy |
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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 | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | 1.77 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | 3 mg/mL at 25 oC | derived from experimental HLC data |
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| Melting Point | Mp -98° | DFC |
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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 | Production upon request, up to 2 g |
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| Delivery Time | Not Available |
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| Storage Form | liquid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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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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| Commercial Vendors |
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| Toronto Research Chemicals | D472720 |
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