pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
2,4-dimethyl(4H)pyrrolidino[1,2e]-1,3,5-dithiazine
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 116505-60-3Picture of molecule3D/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 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:
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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
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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
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Organoleptic Properties:
 
Odor Type: meaty
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 meaty  cooked  roasted  
Odor Description:
at 0.10 % in propylene glycol. 
meaty cooked roasted
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
4H-Pyrrolo[2,1-d]-1,3,5-dithiazine,tetrahydro-2,4-dimethyl-, [2S-(2a,4a,8ab)]- (9CI)
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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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 ppmaverage maximum ppm
baked goods: 0.020000.10000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: 0.020000.10000
chewing gum: --
condiments / relishes: 0.020000.10000
confectionery froastings: --
egg products: --
fats / oils: 0.020000.10000
fish products: 0.020000.10000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.020000.10000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.020000.10000
milk products: --
nut products: --
other grains: --
poultry: 0.020000.10000
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.020000.10000
snack foods: 0.020000.10000
soft candy: --
soups: 0.020000.10000
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200000.40000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
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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
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
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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
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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): HMDB32499
FooDB: FDB010160
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 methyl furfuryl disulfideFL/FR
 rum etherFL/FR
chocolate
2,6-dimethyl pyrazineFL/FR
coffee
 coffee difuranFL/FR
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
 nutty pyrazineFL/FR
fermented
 ethyl crotonateFL/FR
fruity
(E)-7-methyl-3-octen-2-oneFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
2-heptyl furanFL/FR
(E,Z)-2,6-nonadienalFL/FR
 meaty dithianeFL/FR
4-methyl nonanoic acidFL/FR
 sulfurolFL/FR
 sulfuryl acetateFL/FR
moldy
 strawberry furanone methyl etherFL/FR
musty
 hazelnut pyrazineFL/FR
2-ethyl pyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
phenolic
2,3-dimethyl benzofuranFL/FR
ortho-guaiacolFL/FR
4-vinyl phenolFL/FR
 pyroligneous acidsFL/FR
 benzothiazoleFL/FR
 ethyl 2-mercaptopropionateFL/FR
 ethyl 3-mercaptopropionateFL/FR
 fish thiolFL/FR
2-mercaptopropionic acidFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
2-(methyl thio) phenolFL/FR
1-phenethyl mercaptanFL/FR
tobacco
 methyl benzoxoleFL/FR
 
For Flavor
 
No flavor group found for these
4-acetyl-2-methyl pyrimidineFL
 amyl mercaptanFL
1,2-butane dithiolFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
2,5-diethyl thiazoleFL
3,6-diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceriFL
 dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazineFL
 dimethyl tetrasulfideFL
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanoneFL
bis(2,5-dimethyl-3-furyl) disulfideFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
2,5-dimethyl-3-thiofuroyl furanFL
S-ethyl 2-acetyl aminoethane thioateFL
 ethyl 3-mercaptopropionateFL/FR
3-(ethyl thio) butanolFL
2-ethyl-3-methyl thiopyrazineFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
2-hexyl thiopheneFL
1-(3-hydroxy-5-methyl-2-thienyl) ethanoneFL
3-mercapto-3-methyl butyl formateFL
4-mercapto-3-methyl-2-butanolFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl dihydrofuran thiolFL
2-methyl thiazolidineFL
2-methyl-1-butane thiolFL
4-methyl-2-(methyl thiomethyl)-2-hexenalFL
2-methyl-2-thiazolineFL
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
4-((2-methyl-3-furyl)thio)-5-nonanoneFL
1,9-nonane dithiolFL
 peanut dithiazineFL
1-phenethyl mercaptanFL/FR
1-phenyl-3(5)-propyl pyrazoleFL
3-isopropenyl pentane dioic acidFL
isopropyl disulfideFL
2-isopropyl-3-(methyl thio) pyrazineFL
 thiazoleFL
3-thienyl mercaptanFL
 thioacetic acidFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
S-allyl-laevo-cysteineFL
3,5-diisopropyl-1,2,4-trithiolaneFL
3,5-dimethyl-1,2,4-trithiolaneFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2,4-dimethyl-3-oxazolineFL
4-mercapto-2-pentanone 1% in acetoinFL
(±)-3-(methyl thio) heptanalFL
3-(methyl thio) methyl thiopheneFL
2-methyl-1-methyl thio-2-buteneFL
1-(2-thienyl) butanoneFL
alliaceous
 allyl disulfideFL
 allyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dimethyl trisulfideFL/FR
3-mercapto-2-pentanoneFL
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
burnt
 bacon dithiazineFL
1,6-hexane dithiolFL
 rum etherFL/FR
chemical
2,3-dimethyl benzofuranFL/FR
2,5-dimethyl furanFL
coffee
 coffee difuranFL/FR
2-ethyl-4-methyl thiazoleFL/FR
 methyl furfuryl disulfideFL/FR
earthy
 difurfuryl sulfideFL
1,8-octane dithiolFL
eggy
isopropyl mercaptanFL
fatty
2-heptyl furanFL/FR
4-methyl nonanoic acidFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
2-pentyl thiopheneFL
fruity
 tropical trithianeFL/FR
green
4-methyl thiazoleFL
(E,Z)-2,6-nonadienalFL/FR
4-penten-1-yl acetateFL
meaty
4-allyl-2,6-dimethoxyphenolFL
 benzothiazoleFL/FR
2,6-dimethyl thiophenolFL
2,5-dimethyl-3-furan thiolFL
1,1-ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%FL
 furfuryl 2-methyl-3-furyl disulfideFL
 meaty dithianeFL/FR
3-mercapto-2-butanoneFL
(R,S)-2-mercapto-3-butanolFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL/FR
2-methyl 3-(methyl thio) furanFL
2-(methyl thio) phenolFL/FR
 methyl thiofuryl butanalFL
12-methyl tridecanalFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
2-methyl-3-tetrahydrofuran thiolFL
2-methyl-3-thioacetoxytetrahydrofuranFL
 phenyl mercaptanFL
 propyl 2-mercaptopropionateFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 sulfurolFL/FR
 sulfuryl acetateFL/FR
 thialdineFL
ortho-thiocresolFL
ortho-thioguaiacolFL
metallic
2,5-dihydroxy-1,4-dithianeFL
moldy
 strawberry furanone methyl etherFL/FR
musty
 hazelnut pyrazineFL/FR
nutty
3-acetyl-2,5-dimethyl thiopheneFL
2-acetyl-4-methyl thiazoleFL
2-butyl-2-butenalFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,6-dimethyl pyrazineFL/FR
2-ethyl pyrazineFL/FR
 methyl benzoxoleFL/FR
 nutty pyrazineFL/FR
 nutty thiazoleFL
onion
 ethyl 2-mercaptopropionateFL/FR
 furfuryl isopropyl sulfideFL
phenolic
2-ethyl benzene thiolFL
4-vinyl phenolFL/FR
popcorn
2-propionyl-2-thiazolineFL
radish
3-(methyl thio) propyl mercaptoacetateFL
roasted
 hexyl mercaptanFL
 lactoyl ethanolamineFL
 lactoyl ethanolamine phosphateFL
rummy
 ethyl crotonateFL/FR
smoky
 prosopis juliflora wood extractFL
 pyroligneous acidsFL/FR
sulfurous
2,3-butane dithiolFL
 ethyl methyl sulfideFL
S-ethyl thioacetateFL
 fish thiolFL/FR
 methyl 2-methyl-3-furyl disulfideFL
3-methyl-2-butane thiolFL
2-naphthyl mercaptanFL
 roasted butanolFL
2,4,6-trithiaheptane 10% in triacetinFL
vegetable
 tyramineFL
wasabi
2-(methyl thio) ethyl acetateFL
woody
ortho-guaiacolFL/FR
yeasty
 faex extractsFL
 
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Potential Uses:
 meatFL
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Occurrence (nature, food, other): note
 shellfish roasted shellfish
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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)
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