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| IUPAC name : | 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane |
| InChI : | InChI=1/C15H31NS2/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-16H,7-9H2,1-6H3 |
| InChIKey : | RQGPQWUKHADVPF-UHFFFAOYAI |
| SMILES : | CC(C)CC1SC(NC(CC(C)C)S1)CC(C)C |
| cas number : | 74595-94-1 |
| fema number : | 4017 |
| jecfa number : | 1048 |
| fl. number : | 15.113 |
| molar refractivity : | 89.16 ± 0.3 cm3 |
| parachor : | 747.2 ± 4.0 cm3 |
| index of refraction : | 1.479 ± 0.02 |
| surface tension : | 31.9 ± 3.0 dyne/cm |
| density : | 0.921 ± 0.06 g/cm3 |
| polarizability : | 35.34 ± 0.5 10-24cm3 |
| molecular weight : | 289.5433400 (IUPAC) |
| formula : | C15 H31 N S2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Cargill - Alfrebro : | BACON THIAZOLE
1% in Ethanol, natural, Kosher |
| Frutarom : | 2,4,6-TRIISOBUTYL-5,6-DIHYDRO-1,3,5-DITHIAZINE
NI, Kosher |
| Penta : | 2,4,6-triisobutyl-5,6-dihydro-4H-1,3,5-dithiazine
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| Symrise : | Triisobutyldihydrodithiazine
≥95% |
organoleptics :
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| odor type : | meaty |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | meaty smoked bacon |
properties :
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| appearence : | pale yellow to yellow crystals |
| assay : | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| melting point : | 32.00 to 38.00 °C. @ 760.00 mm Hg
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| flash point : | 210.00 °F. TCC ( 98.89 °C. )
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| logP (o/w) : | 6.08 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Oral Toxicity(LD50) : | | |
Not determined
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| Dermal Toxicity(LD50) : | | |
Not determined
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | NA (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 2.60 (μg/capita/day) |
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| recommendation for bacon dithiazine usage levels up to : | | | not for fragrance use.
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| 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 on the "LIBRARY" link. |
| publication number : 20 |
| | average usual ppm | average maximum ppm |
| baked goods : | 0.20000 | 2.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 0.10000 | 1.00000 |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | 0.10000 | 1.00000 |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | 0.20000 | 2.00000 |
| fish products : | 0.04000 | 0.40000 |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 0.20000 | 2.00000 |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 0.10000 | 1.00000 |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | 0.04000 | 0.40000 |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | 0.04000 | 0.40000 |
| reconstituted vegetables : | 0.04000 | 0.40000 |
| seasonings / flavors : | - | - |
| snack foods : | 0.04000 | 0.40000 |
| soft candy : | - | - |
| soups : | 0.10000 | 1.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
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| | | |
| | 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane
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| chemidplus : | 074595941 |
| EPA Substance Registry Services : | 74595-94-1 |
references :
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| | 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane
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| fl. number : | 15.113 |
| jecfa number : | 1048 |
| pubchem : | 74595-94-1 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| 5,6- | dihydro-2,4,6-tris(2-methyl propyl)4H-1,3,5-dithiazine | | 2,4,6- | triisobutyl-5,6-dihydro-1,3,5-dithiazine | | 2,4,6- | triisobutyl-5,6-dihydro-4H-1,3,5-dithiazine | | 2,4,6- | tris(2-methylpropyl)-1,3,5-dithiazinane |
soluble in :
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| | alcohol | | | oils | | | propylene glycol | | | triacetin |
insoluble in :
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| | water |
(odor and/or flavor) blends with :
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| 4- | allyl-2,6-dimethoxyphenol |
| | ayou wood oil |
| 3,5- | diisobutyl-1,2,4-trithiolane |
| 2,6- | dimethoxyphenol |
| 2,5- | dimethyl furan |
| 4- | ethyl guaiacol |
| | pyroligneous acids |
| | thioguaiacol |
| 2,5- | xylenol |
(odor and/or flavor) used in :
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| | bacon | | | chocolate | | | cocoa | | | meat | | | meat smoked meat |
natural occurrence in :
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| found in nature |
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