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2(4)-ethyl-4(2),6-dimethyl dihydro-1,3,5-dithiazine (mixture of isomers)
2(4)-ethyl-4(2),6-dimethyldihydro-1,3,5-dithiazine (mixture of isomers)

Supplier Sponsors

Name:4-ethyl-2,6-dimethyl-4H-1,3,5-dithiazine
CAS Number: 54717-13-4Picture of molecule3D/inchi
FDA UNII: S61GBH610E
XlogP3-AA:3.00 (est)
Molecular Weight:175.31761000
Formula:C7 H13 N S2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:2-ethyl-4,6-dimethyl-4H-1,3,5-dithiazine
CAS Number: 54717-14-5Picture of molecule3D/inchi
FDA UNII: R63L8P9C14
Nikkaji Web:J582.891K
XlogP3-AA:3.00 (est)
Molecular Weight:175.31761000
Formula:C7 H13 N S2
NMR Predictor:Predict (works with chrome, Edge or firefox)
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
FEMA Number:4667 2(4)-ethyl-4(2),6-dimethyldihydro-1,3,5-dithiazine (mixture of isomers)
4667
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):977188-74-1 ; 2(4)-ETHYL-4(2),6-DIMETHYLDIHYDRO-1,3,5-DITHIAZINE (MIXTURE OF ISOMERS)
 
Physical Properties:
Appearance:pale yellow clear liquid (est)
Assay: 90.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:1.07450 to 1.07650 @ 25.00 °C.
Pounds per Gallon - (est).: 8.941 to 8.958
Refractive Index:1.53440 to 1.54400 @ 20.00 °C.
Boiling Point: 253.00 to 257.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 105.00 to 110.00 °C. @ 2.00 mm Hg
Vapor Pressure:0.029000 mmHg @ 25.00 °C. (est)
Flash Point: 224.00 °F. TCC ( 107.10 °C. ) (est)
logP (o/w): 1.080 (est)
Soluble in:
 alcohol
 water, 53.76 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:Watermelon, other summer fruit applicationsalliaceous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
2(4)-ethyl-4(2),6-dimethyl dihydro-1,3,5-dithiazine
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 2(4)-ethyl-4(2),6-dimethyl dihydro-1,3,5-dithiazine (mixture of isomers) 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): 250 (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: 25
Click here to view publication 25
 average usual ppmaverage maximum ppm
baked goods: 0.500001.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.500001.00000
cheese: 0.500001.00000
chewing gum: --
condiments / relishes: 0.500001.00000
confectionery froastings: --
egg products: --
fats / oils: 1.000002.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.500001.00000
hard candy: --
imitation dairy: 0.500001.00000
instant coffee / tea: --
jams / jellies: --
meat products: 1.000002.00000
milk products: 0.500001.00000
nut products: --
other grains: --
poultry: 0.500001.00000
processed fruits: --
processed vegetables: 0.500001.00000
reconstituted vegetables: --
seasonings / flavors: 1.0000010.00000
snack foods: 1.000002.00000
soft candy: --
soups: 0.500001.00000
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 1.500003.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 1.000002.00000
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): 0.500001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.500001.00000
Confectionery (05.0): --
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.500001.00000
Bakery wares (07.0): 1.500003.00000
Meat and meat products, including poultry and game (08.0): 1.500003.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000012.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 0.500001.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
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):

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 :528360
National Institute of Allergy and Infectious Diseases:Data
4-ethyl-2,6-dimethyl-4H-1,3,5-dithiazine
Chemidplus:0054717134
2-ethyl-4,6-dimethyl-4H-1,3,5-dithiazine
Chemidplus:0054717145
 
References:
 4-ethyl-2,6-dimethyl-4H-1,3,5-dithiazine
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):528360
Pubchem (cas):54717-13-4
 2-ethyl-4,6-dimethyl-4H-1,3,5-dithiazine
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):529054
Pubchem (cas):54717-14-5
 
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):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 krill - 0.02 mg/kg
Search PMC Picture
 shrimps - up to 0.3 mg/kg
Search PMC Picture
 
Synonyms:
 ethyl thialdine
4-ethyl-2,6-dimethyl dihydro-1,3,5-dithiazinane
4-ethyl-2,6-dimethyl dihydro-1,3,5-dithiazine
4-ethyl-2,6-dimethyl-4H-1,3,5-dithiazine
4-ethyl-2,6-dimethyldihydro-1,3,5-dithiazinane
4-ethyl-2,6-dimethyldihydro-1,3,5-dithiazine
2-ethyl-4,6-dimethyl dihydro-1,3,5-dithiazinane
2-ethyl-4,6-dimethyl dihydro-1,3,5-dithiazine
2-ethyl-4,6-dimethyl-4H-1,3,5-dithiazine
2-ethyl-4,6-dimethyldihydro-1,3,5-dithiazinane
2-ethyl-4,6-dimethyldihydro-1,3,5-dithiazine
2(4)-ethyl-4(2),6-dimethyldihydro-1,3,5-dithiazinane
2(4)-ethyl-4(2),6-dimethyldihydro-1,3,5-dithiazine (mixture of isomers)
 

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