| Name: | 2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine |
| CAS Number: | 116505-60-3 |  3D/inchi
|
| FDA UNII: | DTC802H23E |
| Nikkaji Web: | J583.542I |
| XlogP3-AA: | 3.00 (est) |
| Molecular Weight: | 189.34455000 |
| Formula: | C8 H15 N S2 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| Register name to be changed to [2S-(2a,4a,8ab)] 2,4-Dimethyl(4H)pyrrolidino[1,2e]-1,3,5-dithiazine (EFFA, 2010a). |
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: | 1763 pyrrolidino-[1,2E]-4H-2,4-dimethyl-1,3,5-dithiazine |
| DG SANTE Food Flavourings: | 15.055 2,4-dimethyl(4H)pyrrolidino[1,2e]-1,3,5-dithiazine |
| FEMA Number: | 4321 pyrrolidino-[1,2E]-4H-2,4-dimethyl-1,3,5-dithiazine |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 116505-60-3 ; PYRROLIDINO-[1,2E]-4H-2,4-DIMETHYL-1,3,5-DITHIAZINE |
Physical Properties:
| Appearance: | pale yellow to amber crystalline solid (est) |
| Assay: | 95.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Melting Point: | 130.00 °C. @ 760.00 mm Hg
|
| Boiling Point: | 235.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 114.00 °F. TCC ( 45.56 °C. )
|
| logP (o/w): | 3.041 (est) |
| Soluble in: |
| | alcohol | | | water, very slightly | | | water, 9265 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: meaty |
| meaty cooked roasted |
| Odor Description:at 0.10 % in propylene glycol. meaty cooked roasted |
| 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 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine usage levels up to: | | | not for fragrance use.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 160 (μg/person/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: 23 |
| Click here to view publication 23 |
| | average usual ppm | average maximum ppm |
| baked goods: | 0.02000 | 0.10000 |
| beverages(nonalcoholic): | - | - |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | 0.02000 | 0.10000 |
| chewing gum: | - | - |
| condiments / relishes: | 0.02000 | 0.10000 |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | 0.02000 | 0.10000 |
| fish products: | 0.02000 | 0.10000 |
| frozen dairy: | - | - |
| fruit ices: | - | - |
| gelatins / puddings: | - | - |
| granulated sugar: | - | - |
| gravies: | 0.02000 | 0.10000 |
| hard candy: | - | - |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | 0.02000 | 0.10000 |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | 0.02000 | 0.10000 |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 0.02000 | 0.10000 |
| snack foods: | 0.02000 | 0.10000 |
| soft candy: | - | - |
| soups: | 0.02000 | 0.10000 |
| 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 (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 0.40000 |
| 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 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 :529068 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine |
| Chemidplus:0116505603 |
References:
| | 2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 529068 |
| Pubchem (sid): | 135293732 |
Other Information:
Potential Blenders and core components note
| For Odor |
| alliaceous |
dimethyl trisulfide
FL/FR |
methyl furfuryl disulfide
FL/FR |
| burnt |
rum ether
FL/FR |
| chocolate |
2,6- dimethyl pyrazine
FL/FR |
| coffee |
coffee difuran
FL/FR |
2- methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR |
| earthy |
nutty pyrazine
FL/FR |
| fermented |
ethyl crotonate
FL/FR |
| fruity |
(E)-7- methyl-3-octen-2-one
FL/FR |
tropical thiazole
FL/FR |
tropical trithiane
FL/FR |
| green |
2- heptyl furan
FL/FR |
(E,Z)-2,6- nonadienal
FL/FR |
| meaty |
meaty dithiane
FL/FR |
4- methyl nonanoic acid
FL/FR |
sulfurol
FL/FR |
sulfuryl acetate
FL/FR |
| moldy |
strawberry furanone methyl ether
FL/FR |
| musty |
hazelnut pyrazine
FL/FR |
| nutty |
2- ethyl pyrazine
FL/FR |
2- ethyl-4-methyl thiazole
FL/FR |
2- methyl-3-(methyl thio) pyrazine
FL/FR |
| phenolic |
2,3- dimethyl benzofuran
FL/FR |
ortho- guaiacol
FL/FR |
4- vinyl phenol
FL/FR |
| smoky |
pyroligneous acids
FL/FR |
| sulfurous |
benzothiazole
FL/FR |
ethyl 2-mercaptopropionate
FL/FR |
ethyl 3-mercaptopropionate
FL/FR |
fish thiol
FL/FR |
2- mercaptopropionic acid
FL/FR |
4- methyl 4-mercaptopentan-2-one 1% solution
FL/FR |
2-( methyl thio) phenol
FL/FR |
1- phenethyl mercaptan
FL/FR |
| tobacco |
methyl benzoxole
FL/FR |
| For Flavor |
| No flavor group found for these |
4- acetyl-2-methyl pyrimidine
FL |
amyl mercaptan
FL |
1,2- butane dithiol
FL |
2-(2- butyl)-4,5-dimethyl-3-thiazoline
FL |
2,5- diethyl thiazole
FL |
3,6- diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL |
dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine
FL |
dimethyl tetrasulfide
FL |
2,6- dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL |
bis(2,5- dimethyl-3-furyl) disulfide
FL |
(Z+E)-2,5- dimethyl-3-tetrahydrofuran thiol
FL |
(Z+E)-2,5- dimethyl-3-thioacetoxytetrahydrofuran
FL |
2,5- dimethyl-3-thiofuroyl furan
FL |
S- ethyl 2-acetyl aminoethane thioate
FL |
ethyl 3-mercaptopropionate
FL/FR |
3-( ethyl thio) butanol
FL |
2- ethyl-3-methyl thiopyrazine
FL |
(Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline
FL |
(Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL |
2- hexyl thiophene
FL |
1-(3- hydroxy-5-methyl-2-thienyl) ethanone
FL |
3- mercapto-3-methyl butyl formate
FL |
4- mercapto-3-methyl-2-butanol
FL |
4- methyl 4-mercaptopentan-2-one 1% solution
FL/FR |
methyl dihydrofuran thiol
FL |
2- methyl thiazolidine
FL |
2- methyl-1-butane thiol
FL |
4- methyl-2-(methyl thiomethyl)-2-hexenal
FL |
2- methyl-2-thiazoline
FL |
2- methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR |
2- methyl-3-(methyl thio) pyrazine
FL/FR |
3-((2- methyl-3-furyl)thio)-4-heptanone
FL |
4-((2- methyl-3-furyl)thio)-5-nonanone
FL |
1,9- nonane dithiol
FL |
peanut dithiazine
FL |
1- phenethyl mercaptan
FL/FR |
1- phenyl-3(5)-propyl pyrazole
FL |
3-iso propenyl pentane dioic acid
FL |
iso propyl disulfide
FL |
2-iso propyl-3-(methyl thio) pyrazine
FL |
thiazole
FL |
3- thienyl mercaptan
FL |
thioacetic acid
FL |
|
5- acetyl-2,3-dihydro-1,4-thiazine
FL |
S- allyl-laevo-cysteine
FL |
3,5- diisopropyl-1,2,4-trithiolane
FL |
3,5- dimethyl-1,2,4-trithiolane
FL |
3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL |
2,4- dimethyl-3-oxazoline
FL |
4- mercapto-2-pentanone 1% in acetoin
FL |
(±)-3-( methyl thio) heptanal
FL |
3-( methyl thio) methyl thiophene
FL |
2- methyl-1-methyl thio-2-butene
FL |
1-(2- thienyl) butanone
FL |
| alliaceous |
| alliaceous |
allyl disulfide
FL |
allyl mercaptan
FL |
1,3- butane dithiol
FL |
cyclopentyl mercaptan
FL |
dimethyl trisulfide
FL/FR |
3- mercapto-2-pentanone
FL |
3- tetrahydrothiophenone
FL |
tropical thiazole
FL/FR |
| burnt |
bacon dithiazine
FL |
1,6- hexane dithiol
FL |
rum ether
FL/FR |
| chemical |
2,3- dimethyl benzofuran
FL/FR |
2,5- dimethyl furan
FL |
| coffee |
coffee difuran
FL/FR |
2- ethyl-4-methyl thiazole
FL/FR |
methyl furfuryl disulfide
FL/FR |
| earthy |
difurfuryl sulfide
FL |
1,8- octane dithiol
FL |
| eggy |
iso propyl mercaptan
FL |
| fatty |
2- heptyl furan
FL/FR |
4- methyl nonanoic acid
FL/FR |
(E)-7- methyl-3-octen-2-one
FL/FR |
2- pentyl thiophene
FL |
| fruity |
tropical trithiane
FL/FR |
| green |
4- methyl thiazole
FL |
(E,Z)-2,6- nonadienal
FL/FR |
4- penten-1-yl acetate
FL |
| meaty |
4- allyl-2,6-dimethoxyphenol
FL |
benzothiazole
FL/FR |
2,6- dimethyl pyrazine
FL/FR |
2,6- dimethyl thiophenol
FL |
2,5- dimethyl-3-furan thiol
FL |
1,1- ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL |
furfuryl 2-methyl-3-furyl disulfide
FL |
meaty dithiane
FL/FR |
3- mercapto-2-butanone
FL |
(R,S)-2- mercapto-3-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 |
phenyl mercaptan
FL |
propyl 2-mercaptopropionate
FL |
pyrazinyl ethane thiol
FL |
2- pyridinyl methane thiol
FL |
sulfurol
FL/FR |
sulfuryl acetate
FL/FR |
thialdine
FL |
ortho- thiocresol
FL |
ortho- thioguaiacol
FL |
| metallic |
2,5- dihydroxy-1,4-dithiane
FL |
| moldy |
strawberry furanone methyl ether
FL/FR |
| musty |
hazelnut pyrazine
FL/FR |
| nutty |
3- acetyl-2,5-dimethyl thiophene
FL |
2- acetyl-4-methyl thiazole
FL |
2- butyl-2-butenal
FL |
3,5- diethyl-2-methyl pyrazine
FL |
2,5- diethyl-3-methyl pyrazine
FL |
2- ethyl pyrazine
FL/FR |
methyl benzoxole
FL/FR |
nutty pyrazine
FL/FR |
nutty thiazole
FL |
| onion |
ethyl 2-mercaptopropionate
FL/FR |
furfuryl isopropyl sulfide
FL |
| phenolic |
2- ethyl benzene thiol
FL |
4- vinyl phenol
FL/FR |
| popcorn |
2- propionyl-2-thiazoline
FL |
| radish |
3-( methyl thio) propyl mercaptoacetate
FL |
| roasted |
hexyl mercaptan
FL |
lactoyl ethanolamine
FL |
lactoyl ethanolamine phosphate
FL |
| rummy |
ethyl crotonate
FL/FR |
| smoky |
prosopis juliflora wood extract
FL |
pyroligneous acids
FL/FR |
| sulfurous |
2,3- butane dithiol
FL |
ethyl methyl sulfide
FL |
S- ethyl thioacetate
FL |
fish thiol
FL/FR |
methyl 2-methyl-3-furyl disulfide
FL |
3- methyl-2-butane thiol
FL |
2- naphthyl mercaptan
FL |
roasted butanol
FL |
2,4,6- trithiaheptane 10% in triacetin
FL |
| vegetable |
tyramine
FL |
| wasabi |
2-( methyl thio) ethyl acetate
FL |
| woody |
ortho- guaiacol
FL/FR |
| yeasty |
faex extracts
FL |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 2,4- | dimethyl tetrahydropyrrolo(2,1-d)(1,3,5)dithiazine | | 2,4- | dimethyl-1-aza-3,5-dithiabicyclo(4.3.0)nonane | | 2,4- | dimethyl-1-aza-3,5-dithiabicyclo[4.3.0]nonane | | 2,4- | dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine | | 2,4- | dimethyl(4H)pyrrolidino(1,2E)-1,3,5-dithiazine | | 2,4- | dimethyl(4H)pyrrolidino[1,2e]-1,3,5-dithiazine | | 2,4- | dimethyltetrahydropyrrolo[2,1-d][1,3,5]-dithiazine | | | pyrrolidino-[1,2E]-4H-2,4-dimethyl-1,3,5-dithiazine | | | pyrrolidino[1,2-e]-4H-1,3,5-dithiazine, 2,4-dimethyl | | 4H- | pyrrolo[2,1-d]-1,3,5-dithiazine,tetrahydro-2,4-dimethyl-, [2S-(2a,4a,8ab)]- (9CI) |
Articles:
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