| CAS Number: | 104691-40-9 |  3D/inchi
|
| FDA UNII: | 215S2I93XT |
| XlogP3-AA: | 3.00 (est) |
| Molecular Weight: | 191.36049000 |
| Formula: | C8 H17 N S2 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| At least 44 % 2-Isopropyl-4,6-dimethyl and 27 % 4-Isopropyl-2,6-dimethyl; sec comp. at least 24 % 2,4,6-Trimethyldihydro--; 6-Methyl-2,4-diisopropyl-;4-Methyl-2,6-diisopropyl, 2,4,6-Triisopropyldihydro-1,3,5-dithiazine (EFFA, 2011h).
Mixture of 4 diastereoisomers (25 % of each) (EFFA, 2013b). At least 44 % 2-Isopropyl-4,6-dimethyl and 27% 4-Isopropyl-2,6-dimethyl; sec comp at least 24% 2,4,6-Trimethyldihydro-; 6-Methyl-2,4-diisopropyl-; 4-Methyl-2,6-diisopropyl-, 2,4,6-Triisopropyldihydro-1,3,5-dithiazine (EFFA, 2011c). |
Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 71.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.95100 to 0.95900 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 7.913 to 7.980
|
| Refractive Index: | 1.49600 to 1.50000 @ 20.00 °C.
|
| Boiling Point: | 264.00 to 265.00 °C. @ 760.00 mm Hg (est)
|
| Vapor Pressure: | 0.016200 mmHg @ 25.00 °C. (est) |
| Flash Point: | 236.00 °F. TCC ( 113.33 °C. ) (est)
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| logP (o/w): | 1.430 (est) |
| Soluble in: |
| | water, 4836 mg/L @ 25 °C (est) |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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 4,6-dimethyl-2-(1-methyl ethyl) dihydro-1,3,5-dithiazine usage levels up to: | | | not for fragrance use.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.60 (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: | 0.05000 | 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...
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European Food Safety Authority (EFSA) reference(s):
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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
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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
|
| 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 :3808445 |
| National Institute of Allergy and Infectious Diseases:Data |
| 4,6-dimethyl-2-propan-2-yl-4H-1,3,5-dithiazine |
| Chemidplus:0104691409 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 4,6- | dimethyl-2-(1-methylethyl)dihydro-1,3,5-dithiazine | | 4,6- | dimethyl-2-propan-2-yl-4H-1,3,5-dithiazine |
Articles:
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