| Preferred name | 2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine |
| Trivial Name | 4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane |
| Short Description | 2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture) |
| Formula | C9 H19 N S2 |
| CAS Number | 101517-87-7 |
| CAS Number | 101517-86-6 |
| Flavis Number | 15.079 |
| FDA UNII | YOR3E7P831 |
| MDL | MFCD10000649 |
| xLogP3-AA | 3.80 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1046 2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture) |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 977161-98-0 ; 2(4)-ISOBUTYL-4(2),6-DIMETHYLDIHYDRO-4H-1,3,5-DITHIAZINE |
| Synonyms |
|
| 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 |
| (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): | HMDB40335 |
| FooDB: | FDB020060 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Carbosynth | Parchem |
| Penta International | Tengzhou Xiang Yuan Aroma Chemicals |
| Penta International Corporation |
| Material listed in food chemical codex | No |
| Molecular weight | 205.38743591309 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.996 to 8.046 |
| Refractive Index | 1.488 to 1.492 @ 20 °C |
| Boiling Point | 104 to 115°C @ 2.5 mm Hg |
| Boiling Point | 298 to 300°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 136.67 °C TCC |
| logP (o/w) | 1.896 est |
| Solubility | |
| alcohol | Yes |
| water, 1562 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Nutty | |
| roasted, cocoa, peanut, nutty | |
| General comment | At 0.10 % in dipropylene glycol. roasted cocoa peanut |
| (data available) |
| 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 | |
| Category: | |||
| flavoring agents | |||
| Recommendation for 2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | .10 (μg/capita/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| 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: | 0.50000 | 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: | - | - | |
| 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 21, Revision 3 (FGE.21Rev3): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 21, Revision 5 (FGE.21Rev5): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 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 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :529056 |
| National Institute of Allergy and Infectious Diseases:Data |
| 4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane |
| Chemidplus:0101517877 |
| 2,4-dimethyl-6-(2-methylpropyl)-1,3,5-dithiazinane |
| Chemidplus:0101517866 |