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2-isopropyl-4,6-dimethyl and 4-isopropyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture)
Notes:
Isol. from dried squid aroma. Flavouring ingredient
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 104691-41-0 |  3D/inchi
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| FDA UNII: | R3KSN48ZFJ | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 191.36049000 | |
| Formula: | C8 H17 N S2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | 4,6-dimethyl-2-(1-methyl ethyl) dihydro-1,3,5-dithiazine | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1047 2-isopropyl-4,6-dimethyl and 4-isopropyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture) |
| FEMA Number: | 3782 2-isopropyl-4,6-dimethyl and 4-isopropyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture) |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 977161-99-1 ; 2(4)-ISOPROPYL-4(2),6-DIMETHYLDIHYDRO-4H-1,3,5-DITHIAZINE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 70.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 104.00 to 115.00 °C. @ 1.70 mm Hg |
| Boiling Point: | 285.00 to 286.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 260.00 °F. TCC ( 126.67 °C. ) |
| logP (o/w): | 1.386 (est) |
| Soluble in: | |
| alcohol | |
| propylene glycol | |
| water, 4836 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: nutty | |
| Odor Strength: | high , recommend smelling in a 0.10 % solution or less |
| peanut meaty cocoa meaty onion leek | |
| Odor Description: at 0.10 % in dipropylene glycol. | peanut meaty cocoa |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 2(4-isoPropyl-4(2),6-dimethyl-1,3,5-dithiazine |
| Parchem |
| peanut dithiazine |
| Shijiazhuang Donglian Nankai Aroma Chemicals |
| Dimethylisopropyldihydro-1,3,5-dithiazine
Odor: Meat, onion and leek |
| Tengzhou Xiang Yuan Aroma Chemicals |
| 2.(4)Isopropyl-4(2).6-Dimethyl-1.3.5-Dithiazine |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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 |
References:
| 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 104691-41-0 |
| Pubchem (cid): | 529052 |
| Pubchem (sid): | 135195301 |
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 |
Potential Blenders and core components note
Potential Uses:
| almond toasted almond | FL | |
| arnica flower | FR | |
| carob bean locust bean | FL/FR | |
| cashew | FL | |
| chestnut blossom | FR | |
| chocolate | FL | |
| chocolate cacao | FL | |
| chocolate cocoa | FL | |
| coconut | FL | |
| coconut tropical coconut | FR | |
| filbert | FL | |
| hazelnut | FL | |
| macadamia | FL | |
| mace | FL | |
| nut | FL | |
| nut roasted nut | FL | |
| nutmeg | FR | |
| peanut | FL | |
| peanut butter | FL | |
| pecan | FL | |
| pina colada | FL | |
| pistachio | FL | |
| praline | FL | |
| sesame | FL | |
| walnut | FL |
Occurrence (nature, food, other): note
| squid dried squid Search Picture |
Synonyms:
| iso | butyldimethyldihydrodithiazine |
| dihydro-2-isopropyl-4,6-dimethyl-4H-1,3,5-dithiazine + dihydro-4-isopropyl-2,6-dimethyl-4H-1,3,5-dithiazine | |
| 5,6- | dihydro-2,4-dimethyl-6-isopropyl-4H-1,3,5-dithiazine |
| 2,4- | dimethyl-6-propan-2-yl-1,3,5-dithiazinane |
| dimethylisopropyldihydro-1,3,5-dithiazine | |
| 4H-1,3,5- | dithiazine, dihydro-2,4-dimethyl-6-(1-methylethyl)- |
| 1,3,5- | dithiazine, perhydro-2,4-dimethyl-6-(1-methylethyl) |
| 4-iso | propyl-2,6-dimethyl-1,3,5-dithiazinane |
| 2-iso | propyl-4,6-dimethyl and 4-isopropyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture) |
| 2(4)-iso | propyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine |