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4,6-dimethyl-2-(1-methyl ethyl) dihydro-1,3,5-dithiazine
4,6-dimethyl-2-(1-methylethyl)dihydro-1,3,5-dithiazine

Supplier Sponsors

CAS Number: 104691-40-9Picture of molecule3D/inchi
FDA UNII:215S2I93XT
XlogP3-AA:3.00 (est)
Molecular Weight:191.36049000
Formula:C8 H17 N S2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
At least 44 % 2-Isopropyl-4,6-dimethyl and 27 % 4-Isopropyl-2,6-dimethyl; sec comp. at least 24 % 2,4,6-Trimethyldihydro--; 6-Methyl-2,4-diisopropyl-;4-Methyl-2,6-diisopropyl, 2,4,6-Triisopropyldihydro-1,3,5-dithiazine (EFFA, 2011h). Mixture of 4 diastereoisomers (25 % of each) (EFFA, 2013b). At least 44 % 2-Isopropyl-4,6-dimethyl and 27% 4-Isopropyl-2,6-dimethyl; sec comp at least 24% 2,4,6-Trimethyldihydro-; 6-Methyl-2,4-diisopropyl-; 4-Methyl-2,6-diisopropyl-, 2,4,6-Triisopropyldihydro-1,3,5-dithiazine (EFFA, 2011c).
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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DG SANTE Food Flavourings:15.057 4,6-dimethyl-2-(1-methylethyl)dihydro-1,3,5-dithiazine
FEMA Number:3782 4,6-dimethyl-2-(1-methylethyl)dihydro-1,3,5-dithiazine
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Assay: 71.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.95100 to 0.95900 @ 25.00 °C.
Pounds per Gallon - (est).: 7.913 to 7.980
Refractive Index:1.49600 to 1.50000 @ 20.00 °C.
Boiling Point: 264.00 to 265.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.016200 mmHg @ 25.00 °C. (est)
Flash Point: 236.00 °F. TCC ( 113.33 °C. ) (est)
logP (o/w): 1.430 (est)
Soluble in:
 water, 4836 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
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 4,6-dimethyl-2-(1-methyl ethyl) dihydro-1,3,5-dithiazine usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.60 (μg/capita/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: 16
Click here to view publication 16
 average usual ppmaverage maximum ppm
baked goods: 0.500005.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.500005.00000
cheese: --
chewing gum: 1.0000020.00000
condiments / relishes: --
confectionery froastings: 0.500005.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.500005.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.500005.00000
milk products: 0.050001.00000
nut products: 0.500005.00000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.500005.00000
soft candy: 0.500005.00000
soups: 0.100002.00000
sugar substitutes: --
sweet sauces: --
 
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

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 :3808445
National Institute of Allergy and Infectious Diseases:Data
4,6-dimethyl-2-propan-2-yl-4H-1,3,5-dithiazine
Chemidplus:0104691409
 
References:
 4,6-dimethyl-2-propan-2-yl-4H-1,3,5-dithiazine
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:104691-40-9
Pubchem (cid):3808445
Pubchem (sid):135195300
 
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
HMDB (The Human Metabolome Database):HMDB40333
FooDB:FDB020058
VCF-Online:VCF Volatile Compounds in Food
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 squid dried squid
Search Picture
 
Synonyms:
4,6-dimethyl-2-(1-methylethyl)dihydro-1,3,5-dithiazine
4,6-dimethyl-2-propan-2-yl-4H-1,3,5-dithiazine
 

Articles:

 None found yet.
 
Notes:
Isol. from dried squid aroma. Flavouring ingredient
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