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peanut dithiazine
General Material Information
| Preferred name | peanut dithiazine |
| Trivial Name | Dihydro-2,4-dimethyl-6-(1-methylethyl)-4H-1,3,5-dithiazine |
| Short Description | 2-isopropyl-4,6-dimethyl and 4-isopropyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture) |
| Formula | C8 H17 N S2 |
| CAS Number | 104691-41-0 |
| FEMA Number | 3782 |
| FDA UNII | R3KSN48ZFJ |
| xLogP3-AA | 3.40 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1047 2-isopropyl-4,6-dimethyl and 4-isopropyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture) |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 977161-99-1 ; 2(4)-ISOPROPYL-4(2),6-DIMETHYLDIHYDRO-4H-1,3,5-DITHIAZINE |
| 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 |
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 |
| HMDB (The Human Metabolome Database): | HMDB40332 |
| FooDB: | FDB020057 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Parchem |
| Shijiazhuang Donglian Nankai Aroma Chemicals | Tengzhou Xiang Yuan Aroma Chemicals |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 191.3604888916 |
| Boiling Point | 104 to 115°C @ 1.7 mm Hg |
| Boiling Point | 285 to 286°C @ 760 mm Hg |
| Vapor Pressure | 0.003 mmHg @ 25 °C |
| Flash Point TCC Value | 126.67 °C TCC |
| logP (o/w) | 1.386 est |
| Solubility | |
| alcohol | Yes |
| propylene glycol | Yes |
| water, 4836 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Nutty | |
| peanut, meaty, cocoa, onion, leek | |
| General comment | At 0.10 % in dipropylene glycol. peanut meaty cocoa |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Arnica flower, Carob bean locust bean, Chestnut blossom, Coconut tropical coconut, Nutmeg |
| Flavoring purposes | Almond toasted almond, Carob bean locust bean, Cashew, Chocolate, Chocolate cacao, Chocolate cocoa, Coconut, Filbert, Hazelnut, Macadamia, Mace, Nut, Nut roasted nut, Peanut, Peanut butter, Pecan, Pina colada, Pistachio, Praline, Sesame, Walnut |
Safety Information
Safety information
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for peanut dithiazine usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| 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: 16 | |||
| Click here to view publication 16 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.50000 | 5.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 0.50000 | 5.00000 | |
| cheese: | - | - | |
| chewing gum: | 1.00000 | 20.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.50000 | 5.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.50000 | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.50000 | 5.00000 | |
| milk products: | 0.05000 | 1.00000 | |
| nut products: | 0.50000 | 5.00000 | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | 0.50000 | 5.00000 | |
| soft candy: | 0.50000 | 5.00000 | |
| soups: | 0.10000 | 2.00000 | |
| 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 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 9, Revision 6 (FGE.09Rev6): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25 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 :529052 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane |
| Chemidplus:0104691410 |