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tropical trithiane
General Material Information
| Preferred name | tropical trithiane |
| Trivial Name | Trithioacetone |
| Short Description | trithioacetone |
| Formula | C9 H18 S3 |
| CAS Number | 828-26-2 |
| FEMA Number | 3475 |
| Flavis Number | 15.009 |
| ECHA Number | 212-582-5 |
| FDA UNII | L0ME5B2ZWY |
| Nikkaji Number | J102.831F |
| Beilstein Number | 0106323 |
| MDL | MFCD00066341 |
| COE Number | 2334 |
| xLogP3-AA | 4.10 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 543 trithioacetone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 828-26-2 ; TRITHIOACETONE |
| 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
| 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 828-26-2 |
| Pubchem (cid): | 13233 |
| Pubchem (sid): | 134978365 |
| Pherobase: | View |
| Publications by US Patents | |
| 3,958,030 - Flavoring compositions and processes utilizing six membered hetero-cyclic-poly-S-compounds | |
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): | HMDB40243 |
| FooDB: | FDB019958 |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | Trithioacetone |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 222.43745422363 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.845 to 8.928 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.837 to 8.887 |
| Refractive Index | 1.534 to 1.544 @ 20 °C |
| Melting Point | 23 to 24°C @ 760 mm Hg |
| Boiling Point | 105 to 107°C @ 10 mm Hg |
| Vapor Pressure | 0.017 mmHg @ 25 °C |
| Flash Point TCC Value | 16.67 °C TCC |
| logP (o/w) | 4.687 est |
| Solubility | |
| alcohol | Yes |
| oils | Yes |
| water, 0.01091 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| sulfurous, burnt, earthy, green, blackberry, meaty, fruity, currant bud black currant bud, cooling, catty, tropical, grapefruit | |
| General comment | At 0.10 % in dipropylene glycol. sulfurous burnt earthy green blackberry |
| Mosciano, Gerard P&F 24, No. 5, 41, (1999) | At 1.00 % in ethyl alcohol. Sulfurous, burnt meaty, green, fruity, blackcurrant, black berry, cooling, catty and tropical with a grapefruit nuance |
| Flavor Type: Fruity | |
| fruity, sulfurous, tart, berry, cooling, catty, minty, currant bud black currant bud, tropical | |
| Mosciano, Gerard P&F 24, No. 5, 41, (1999) | At 0.35 - 0.50 ppm. Fruity, sulfureous, tangy berry, with cooling catty minty blackcurrant and tropical nuances |
| Used in confectionery flavours at 0.5ppm, drinks desserts and dairy products at 0.1ppm, and in frozen desserts at 0.04ppm. | Woody/minty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Blackberry, Currant black currant, Grapefruit, Mango, Mint, Passion fruit, Peach, Raspberry |
| Flavoring purposes | Beef, Buchu leaf, Nut, Tropical |
| Other purposes | Diffusion |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 37/39 - Wear suitable 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: | |
| gavage-mouse LD50 [sex: M,F] M:2600 F:2000 mg/kg (Fenwick & Hanley, 1985) oral-mouse LD50 2400 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for tropical trithiane usage levels up to: | |||
| 0.1000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.50 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 9 | |||
| Click here to view publication 9 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 0.12000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.50000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.04000 | |
| fruit ices: | - | 0.04000 | |
| gelatins / puddings: | - | 0.07500 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 0.08000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| 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 Substance Registry Services (TSCA):828-26-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :13233 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:2 |
| 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane |
| Chemidplus:0000828262 |
| RTECS:YL8350000 for cas# 828-26-2 |