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1,8-octane dithiol
General Material Information
| Preferred name | 1,8-octane dithiol |
| Trivial Name | 1,8-Octanedithiol |
| Short Description | 1,8-octanedithiol |
| Formula | C8 H18 S2 |
| CAS Number | 1191-62-4 |
| FEMA Number | 3514 |
| Flavis Number | 12.034 |
| ECHA Number | 214-738-8 |
| FDA UNII | KH3W3161HS |
| Nikkaji Number | J86.719E |
| Beilstein Number | 1735431 |
| MDL | MFCD00003574 |
| COE Number | 2331 |
| xLogP3-AA | 3.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 541 1,8-octanedithiol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 1191-62-4 ; 1,8-OCTANEDITHIOL |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| octane-1,8-dithiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1191-62-4 |
| Pubchem (cid): | 14493 |
| Pubchem (sid): | 134980818 |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB40348 |
| FooDB: | FDB020073 |
| Export Tariff Code: | 2930.90.9190 |
| ChemSpider: | View |
| FAO: | 1,8-Octanedithiol |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 178.3614654541 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.03 to 8.113 |
| Refractive Index | 1.501 to 1.507 @ 20 °C |
| Boiling Point | 269 to 270°C @ 760 mm Hg |
| Vapor Pressure | 0.012 mmHg @ 25 °C |
| Flash Point TCC Value | 112.78 °C TCC |
| logP (o/w) | 4.214 est |
| Solubility | |
| alcohol | Yes |
| oils | Yes |
| water, 15.79 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Sulfurous | |
| sulfurous, meaty, mushroom, earthy | |
| General comment | At 0.10 % in propylene glycol. sulfurous meaty mushroom earthy |
| Flavor Type: Earthy | |
| earthy, mushroom, fatty, meaty | |
| General comment | Earthy mushroom fatty meaty |
| FEMA specifies that total dithiols added to a foodstuff should not exceed 1.0 ppm. Kosher.Artificial: not reported found in nature. Used in poultry, meat, soup and savoury flavours. Normal use levels in finished consumer product: 0.002-0.2 ppm. | Earthy/mushroom; sweet/fatty/meaty, on dilution |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-mouse LD50 [sex: M,F (5/sex/group)] 882 (940 M, 1300 F) mg/kg (Bailey, 1976b) oral-mouse LD50 [sex: M,F] 1262 mg/kg (Moran et al., 1980) oral-mouse LD50 882 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| 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 | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 10 | |||
| Click here to view publication 10 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.20000 | |
| 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: | - | 0.20000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 0.20000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 0.20000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :14493 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| octane-1,8-dithiol |
| Chemidplus:0001191624 |
| RTECS:RG9610000 for cas# 1191-62-4 |