1,8-octane dithiol
1,8-octanedithiol
Identification
| Name | 1,8-octane dithiol |
| IUPAC | octane-1,8-dithiol |
| CAS Number | 1191-62-4 |
| EINECS | 214-738-8 |
| FDA UNII | KH3W3161HS |
| Molecular Formula | C8 H18 S2 |
| Molecular Weight | 178.36146000 |
| MDL Number | MFCD00003574 |
| Nikkaji Number | J86.719E |
| Beilstein | 1735431 |
| CoE Number | 2331 |
Regulatory
| JECFA Food Flavoring | 541 1,8-octanedithiol |
| DG SANTE Food Flavourings | 12.034 octane-1,8-dithiol |
| FEMA Number | 3514 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 1191-62-4 ; 1,8-OCTANEDITHIOL |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.96500 to 0.97500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.030 to 8.113 |
| Refractive Index | 1.50100 to 1.50700 @ 20.00 °C. |
| Melting Point | 0.90 °C. @ 760.00 mm Hg |
| Boiling Point | 142.00 °C. @ 30.00 mm Hg, 269.00 to 270.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.012000 mmHg @ 25.00 °C. (est) |
| Flash Point | 235.00 °F. TCC ( 112.78 °C. ) |
| logP (o/w) | 4.214 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
| Taste Description |
earthy mushroom fatty meaty Earthy/mushroom; sweet/fatty/meaty, on dilution
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-mouse LD50 [sex: M,F (5/sex/group)] 882 (940 M, 1300 F) mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 1,8-octane dithiol usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 2.10 (μg/capita/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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