CAS Number: | 54717-17-8 | 3D/inchi
|
FDA UNII: | 9PHT7XFK4F |
XlogP3-AA: | 4.00 (est) |
Molecular Weight: | 205.38743000 |
Formula: | C9 H19 N S2 |
NMR Predictor: | Predict (works with chrome or firefox) |
EFSA/JECFA Comments: | Mixture of diastereoisomers (EFFA, 2010a).
Mixture of isomers ((R/R), (R/S), (S/R) & (S/S) at equal ratio, i.e. 25 % of each) (EFFA, 2011f).
Mixture of diastereoisomers (EFFA, 2010). Mixture of isomers ((R/R), (R/S), (S/R) & (S/S) at equal ratio, i.e. 25 % of each) (EFFA, 2011b). |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless to pale yellow clear liquid (est) |
Assay: | 95.00 to 100.00 %
|
Food Chemicals Codex Listed: | No |
Specific Gravity: | 1.03650 to 1.03750 @ 20.00 °C.
|
Pounds per Gallon - (est).: | 8.635 to 8.643
|
Refractive Index: | 1.53060 to 1.53090 @ 20.00 °C.
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Melting Point: | 188.00 °C. @ 760.00 mm Hg
|
Boiling Point: | 287.00 °C. @ 760.00 mm Hg
|
Acid Value: | 5.20 max. KOH/g
|
Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
Flash Point: | 285.00 °F. TCC ( 140.56 °C. )
|
logP (o/w): | 3.445 (est) |
Soluble in: |
| alcohol | | water, 1352 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Organoleptic Properties:
|
Odor Type: sulfurous |
|
| alliaceous roasted fried onion leek fatty scallion |
Odor Description: at 0.01 % in propylene glycol. | alliaceous roasted fried onion leek fatty scallion |
|
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Flavor Type: savory |
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| savory meaty |
Taste Description:
| savory meaty |
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Odor and/or flavor descriptions from others (if found). |
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|
Cosmetic Information:
Suppliers:
BOC Sciences |
For experimental / research use only. |
Dihydro-2,4,6-triethyl-1,3,5-[4H]-dithiazine 95%
|
Endeavour Specialty Chemicals |
2,4,6-Triethyldihydro-4h-1,3,5-dithiazine
|
Speciality Chemical Product Groups |
Penta International |
2,4,6-TRIETHYL-1,3,5-DITHIAZINE
|
R C Treatt & Co Ltd |
2,4,6-Triethyltetrahydro-1,3,5-dithiazine
Kosher Odor: Sulphurous, savoury; cooked leek Flavor: Savoury Used flavours for oils and fats at 0.35-3.5ppm; in meat and dairy flavours for snack foods and sauces at 3-6ppm; and in soups and seasonings, at 4-8ppm. |
Robinson Brothers |
2,4,6-Triethyldihydro-4h-1,3,5-dithiazine
|
https://www.robinsonbrothers.uk/chemistry-competences |
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 |
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Pictogram | |
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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 2,4,6-triethyl tetrahydro-1,3,5-dithiazine usage levels up to: | | not for fragrance use.
|
|
Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.85 (μg/capita/day) |
Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 160 (μg/person/day) |
Threshold of Concern: | 540 (μg/person/day) |
Structure Class: | II |
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: 26 |
Click here to view publication 26 |
| average usual ppm | average maximum ppm |
baked goods: | 0.50000 | 1.00000 |
beverages(nonalcoholic): | - | - |
beverages(alcoholic): | - | - |
breakfast cereal: | 0.50000 | 1.00000 |
cheese: | 0.50000 | 1.00000 |
chewing gum: | - | - |
condiments / relishes: | 0.50000 | 1.00000 |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | 1.00000 | 2.00000 |
fish products: | - | - |
frozen dairy: | - | - |
fruit ices: | - | - |
gelatins / puddings: | - | - |
granulated sugar: | - | - |
gravies: | 0.50000 | 1.00000 |
hard candy: | - | - |
imitation dairy: | 0.50000 | 1.00000 |
instant coffee / tea: | - | - |
jams / jellies: | - | - |
meat products: | 1.00000 | 2.00000 |
milk products: | 0.50000 | 1.00000 |
nut products: | - | - |
other grains: | - | - |
poultry: | 0.50000 | 1.00000 |
processed fruits: | - | - |
processed vegetables: | 0.50000 | 1.00000 |
reconstituted vegetables: | - | - |
seasonings / flavors: | 1.00000 | 10.00000 |
snack foods: | 1.00000 | 2.00000 |
soft candy: | - | - |
soups: | 0.50000 | 1.00000 |
sugar substitutes: | - | - |
sweet sauces: | - | - |
|
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). |
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| average usage mg/kg | maximum usage mg/kg |
Dairy products, excluding products of category 02.0 (01.0): | 0.40000 | 2.00000 |
Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 |
Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 |
Processed fruit (04.1): | 0.30000 | 1.50000 |
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
Confectionery (05.0): | 0.40000 | 2.00000 |
Chewing gum (05.0): | - | - |
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 |
Bakery wares (07.0): | 0.40000 | 2.00000 |
Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.40000 |
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.40000 |
Eggs and egg products (10.0): | - | - |
Sweeteners, including honey (11.0): | - | - |
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.20000 | 1.00000 |
Foodstuffs intended for particular nutritional uses (13.0): | 0.40000 | 2.00000 |
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.20000 | 1.00000 |
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.40000 | 2.00000 |
Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 |
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 |
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: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
Flavouring Group Evaluation 76, (FGE.76)[1] - Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29, miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
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 |
Flavouring Group Evaluation 93 (FGE.93): Consideration of sulphur heterocyclic evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl evaluated by EFSA in FGE.21Rev1 (2009) View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 21, Revision 2 (FGE.21Rev2): 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 |
Statement on List of Representative Substances for Testing.
The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). View page or View pdf |
Scientific Opinion on the safety and efficacy of thiazoles, thiophene, thiazoline and thienyl derivatives (chemical group 29): 3-acetyl-2,5-dimethylthiophene when used as a flavouring for all animal species 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 |
EPI System: | View |
EPA ACToR: | Toxicology Data |
EPA Substance Registry Services (SRS): | Registry |
Laboratory Chemical Safety Summary : | 547350 |
National Institute of Allergy and Infectious Diseases: | Data |
| 2,4,6-triethyl-1,3,5-dithiazinane |
Chemidplus: | 0054717178 |
References:
Other Information:
Potential Blenders and core components note
|
For Odor |
alliaceous |
| allium sativum oil egypt | FL/FR |
| dibutyl sulfide | FL/FR |
| dimethyl trisulfide | FL/FR |
| dipropyl disulfide | FL/FR |
| ferula assa-foetida gum oil | FL/FR |
| garlic oil | FL/FR |
| garlic oil china | FL/FR |
| garlic oil mexico | FL/FR |
| methyl furfuryl disulfide | FL/FR |
| propyl mercaptan | FL/FR |
| strawberry furanone | FL/FR |
chocolate |
2,6- | dimethyl pyrazine | FL/FR |
| furfuryl mercaptan | FL/FR |
1- | octen-3-ol | FL/FR |
fatty |
3- | decen-2-one | FL/FR |
fermented |
| ethyl (E)-2-crotonate | FL/FR |
fresh |
10- | undecen-1-yl acetate | FL/FR |
fruity |
3- | mercaptohexyl acetate | FL/FR |
(E)-7- | methyl-3-octen-2-one | FL/FR |
| prunus amygdalus amara seed extract | FL/FR |
(E)-2- | undecenal | FL/FR |
green |
| cortex pyridine | FL/FR |
(E,Z)-2,6- | nonadienal | FL/FR |
iso | propyl 3-methyl thiocrotonate | FL/FR |
herbal |
| carum carvi fruit oil | FL/FR |
| trigonella foenum-graecum seed extract | FL/FR |
| meaty dithiane | FL/FR |
| sulfurol | FL/FR |
| sulfuryl acetate | FL/FR |
medicinal |
summer | savory oil | FL/FR |
moldy |
| strawberry furanone methyl ether | FL/FR |
2- | ethyl-4-methyl thiazole | FL/FR |
| filbert heptenone | FL/FR |
2,6- | lutidine | FL/FR |
phenolic |
ortho- | guaiacol | FL/FR |
| trigonella foenum-graecum seed oil CO2 extract | FL/FR |
smoky |
2,6- | dimethoxyphenol | FL/FR |
| pyroligneous acids | FL/FR |
spicy |
| eugenol | FL/FR |
| benzothiazole | FL/FR |
| fish thiol | FL/FR |
| furfuryl thioacetate | FL/FR |
2- | mercaptopropionic acid | FL/FR |
2- | methyl 5-(methyl thio) furan | FL/FR |
| methyl mercaptan | FL/FR |
2-( | methyl thio) phenol | FL/FR |
| onion oil | FL/FR |
3- | thiohexanol | FL/FR |
tobacco |
| methyl benzoxole | FL/FR |
|
For Flavor |
|
No flavor group found for these |
| acetaldehyde diethyl mercaptal | FL |
| allyl alcohol | FL |
| allyl methyl disulfide | FL |
| allyl methyl trisulfide | FL |
| allyl propyl trisulfide | FL |
| dipropyl sulfide | FL |
| ethyl methyl trisulfide | FL |
| ethyl propyl disulfide | FL |
| ethyl propyl trisulfide | FL |
| furfuryl propyl disulfide | FL |
bis(1- | mercaptopropyl) sulfide | FL |
| methyl propyl sulfide | FL |
2-( | methyl thio) methyl-2-butenal | FL |
S- | methyl thiopropionate | FL |
| peanut dithiazine | FL |
| prenyl mercaptan | FL |
iso | propyl 3-methyl thiocrotonate | FL/FR |
iso | propyl disulfide | FL |
| thiophene | FL |
|
3- | methyl-1,2,4-trithiane | FL |
alliaceous |
| allium porrum extract | FL |
| allium sativum oil egypt | FL/FR |
| allyl disulfide | FL |
| allyl mercaptan | FL |
| allyl thiopropionate | FL |
1,3- | butane dithiol | FL |
| cyclopentyl mercaptan | FL |
| dicyclohexyl disulfide | FL |
| dimethyl trisulfide | FL/FR |
| dipropyl disulfide | FL/FR |
| dipropyl trisulfide | FL |
| ferula assa-foetida gum oil | FL/FR |
| garlic oil | FL/FR |
| garlic oil china | FL/FR |
| garlic oil extenders | FL |
| garlic oil mexico | FL/FR |
| leek oil | FL |
3- | mercapto-2-methyl pentanol | FL |
3- | mercapto-2-pentanone | FL |
white | mustard seed oil | FL |
| propyl mercaptan | FL/FR |
| shallot oil | FL |
3- | tetrahydrothiophenone | FL |
| truffle sulfide | FL |
bacon |
| bacon reaction crispy | FL |
beefy |
| beef jerky flavor | FL |
| beef juice flavor | FL |
bready |
| mango furanone | FL |
| trigonella foenum-graecum seed extract | FL/FR |
brothy |
| soup stock flavor | FL |
burnt |
1,6- | hexane dithiol | FL |
caramellic |
| strawberry furanone | FL/FR |
chemical |
2,5- | dimethyl furan | FL |
coffee |
2- | ethyl-4-methyl thiazole | FL/FR |
| furfuryl mercaptan | FL/FR |
| methyl furfuryl disulfide | FL/FR |
| methyl furfuryl mercaptopropionate | FL |
| methyl furfuryl thiol | FL |
earthy |
| difurfuryl sulfide | FL |
(±)-2- | mercapto-5-methylheptan-4-one | FL |
| mushroom flavor | FL |
1,8- | octane dithiol | FL |
2- | thienyl disulfide | FL |
eggy |
iso | propyl mercaptan | FL |
fatty |
pork | fat extract | FL |
(E)-7- | methyl-3-octen-2-one | FL/FR |
2,4- | octadien-1-ol | FL |
fishy |
| anchovy flavor | FL |
4,5- | dimethyl thiazole | FL |
fruity |
| acerola fruit distillates | FL |
2- | ethyl-2,5-dihydro-4-methyl thiazole | FL |
garlic |
| allyl methyl sulfide | FL |
| garlic distillates | FL |
| garlic flavor | FL |
greasy |
10- | undecen-1-yl acetate | FL/FR |
green |
| cortex pyridine | FL/FR |
3- | decen-2-one | FL/FR |
| dibutyl sulfide | FL/FR |
4- | methyl thiazole | FL |
(E,Z)-2,6- | nonadienal | FL/FR |
herbal |
| caraway flavor | FL |
| carum carvi fruit oil | FL/FR |
malty |
| yeast thiazoline | FL |
meaty |
4- | allyl-2,6-dimethoxyphenol | FL |
maple | bacon flavor | FL |
| bacon flavor | FL |
| beef broth flavor | FL |
roast | beef flavor | FL |
BBQ | beef flavor | FL |
| beef flavor | FL |
juicy | beef flavor | FL |
| beef flavor base | FL |
| benzothiazole | FL/FR |
| brown flavor | FL |
| chicken bone extract | FL |
| chicken broth flavor | FL |
| chicken extract | FL |
grilled | chicken flavor | FL |
roast | chicken flavor | FL |
| chicken flavor | FL |
| chicken key | FL |
| chicken soup stock flavor | FL |
2,6- | dimethyl pyrazine | FL/FR |
2,6- | dimethyl thiophenol | FL |
2,5- | dimethyl-3-furan thiol | FL |
2',3- | dimethyl-3',4-dioxa-2,8-dithiabicyclo(3.3.0)octane spirocyclopentane | FL |
| ethyl 2-hydroxyethyl sulfide | FL |
| furfuryl 2-methyl-3-furyl disulfide | FL |
4- | furfuryl thio-2-pentanone | FL |
| ham enhancers | FL |
| ham flavor | FL |
| hot dog flavor | FL |
| lamb flavor | FL |
| liver flavor | FL |
| meat broth concentrates | FL |
| meat flavors | FL |
| meaty dithiane | FL/FR |
| meaty enhancers | FL |
3- | mercapto-2-butanone | FL |
(R,S)-2- | mercapto-3-butanol | FL |
3- | mercapto-3-methyl butanol | FL |
2- | mercaptomethyl pyrazine | FL |
2- | mercaptopropionic acid | FL/FR |
2- | methyl 3-(methyl thio) furan | FL |
2-( | methyl thio) phenol | FL/FR |
| methyl thiofuryl butanal | FL |
12- | methyl tridecanal | FL |
bis(2- | methyl-3-furyl) disulfide | FL |
S-(2- | methyl-3-furyl) ethane thioate | FL |
2- | methyl-3-tetrahydrofuran thiol | FL |
2- | methyl-3-thioacetoxytetrahydrofuran | FL |
| pepperoni flavor | FL |
| phenyl mercaptan | FL |
grilled | pork flavor | FL |
| pork flavor | FL |
roasted | pork flavor | FL |
| pyrazinyl ethane thiol | FL |
2- | pyridinyl methane thiol | FL |
| rabbit flavor | FL |
| salami flavor | FL |
grilled | steak flavor | FL |
| sulfurol | FL/FR |
| sulfuryl acetate | FL/FR |
| thialdine | FL |
ortho- | thiocresol | FL |
ortho- | thioguaiacol | FL |
| turkey flavor | FL |
smoked | turkey flavor | FL |
roast | turkey flavor | FL |
| veal flavor | FL |
| venison flavor | FL |
medicinal |
2,6- | dimethoxyphenol | FL/FR |
summer | savory oil | FL/FR |
summer | savory oleoresin | FL |
metallic |
2,5- | dihydroxy-1,4-dithiane | FL |
moldy |
| strawberry furanone methyl ether | FL/FR |
mushroom |
1- | octen-3-ol | FL/FR |
musty |
| ethyl (E)-2-crotonate | FL/FR |
2- | methyl 5-(methyl thio) furan | FL/FR |
nutty |
2- | acetyl-4-methyl thiazole | FL |
| filbert heptenone | FL/FR |
2,6- | lutidine | FL/FR |
| methyl benzoxole | FL/FR |
| nutty thiazole | FL |
| prunus amygdalus amara seed extract | FL/FR |
onion |
| durian flavor | FL |
| furfuryl isopropyl sulfide | FL |
| methionol | FL |
| methyl propyl disulfide | FL |
2- | methyl-1,3-dithiolane | FL |
| propyl thioacetate | FL |
oyster |
| oyster flavor | FL |
phenolic |
2- | ethyl benzene thiol | FL |
roasted |
3,5- | diisobutyl-1,2,4-trithiolane | FL |
| ethyl 3-(furfuryl thio) propionate | FL |
| furfuryl thioacetate | FL/FR |
| trigonella foenum-graecum seed oil CO2 extract | FL/FR |
salty |
1-(2- | hydroxy-4-methoxyphenyl)-3-(pyridin-2-yl)propan-1-one | FL |
sausage |
| sausage flavor | FL |
savory |
5'- | adenylic acid sodium salt | FL |
(E)-3- | benzo[1,3]dioxol-5-yl-N,N-diphenyl-2-propenamide | FL |
(E)-N-[2-(1,3- | benzodioxol-5-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide | FL |
| disodium adenosine 5'-phosphate | FL |
(R)-N-(1- | methoxy-4-methyl pentan-2-yl)-3,4-dimethyl benzamide | FL |
seafood |
| clam extract | FL |
| clam flavor | FL |
1,4- | dithiane | FL |
smoky |
| prosopis juliflora wood extract | FL |
| pyroligneous acids | FL/FR |
spicy |
hot spicy | beef flavor | FL |
| eugenol | FL/FR |
winter | savory oil | FL |
winter | savory oleoresin | FL |
sulfurous |
| brussel sprouts flavor | FL |
2,3- | butane dithiol | FL |
| butyl mercaptan | FL |
| fish thiol | FL/FR |
| furfuryl thiopropionate | FL |
3- | mercapto-2-methyl pentanal | FL |
| methyl 2-(methyl thio) butyrate | FL |
| methyl 2-methyl-3-furyl disulfide | FL |
| methyl ethyl disulfide | FL |
| methyl mercaptan | FL/FR |
| methyl thiomethyl butyrate | FL |
2- | methyl thiophene | FL |
3- | methyl-2-butane thiol | FL |
2- | naphthyl mercaptan | FL |
| onion oil | FL/FR |
3- | pentane thiol | FL |
| roasted butanol | FL |
| rutabaga flavor | FL |
3- | thiohexanol | FL/FR |
tropical |
| acerola flavor | FL |
3- | mercaptohexyl acetate | FL/FR |
3- | mercaptohexyl butyrate | FL |
waxy |
(E)-2- | undecenal | FL/FR |
woody |
ortho- | guaiacol | FL/FR |
yeasty |
| faex extracts | FL |
|
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
5,6- | dihydro-2,4,6-triethyl-(4H)1,3,5-dithiazine | | dihydro-2,4,6-triethyl-1,3,5(4H)-dithiazine | 5,6- | dihydro-2,4,6-triethyl-4H-1,3,5-dithiazine | 4H-1,3,5- | dithiazine, 2,4,6-triethyldihydro- | 2,4,6- | triethyl-1,3,5-dithiazinane | | triethylthialdine |
Articles:
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