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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 |