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(S)-1-(3-(((4-amino-2,2-dioxido-1H-benzo[c][1,2,6]thiadiazin-5-yl)oxy)methyl)piperidin-1-yl)-3-methylbutan-1-one
1-[(3S)-3-{[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]methyl}-1-piperidinyl]-3-methyl-1-butanone

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CAS Number: 1469426-64-9Picture of molecule3D/inchi
FDA UNII: V9L4W5BQC7
Nikkaji Web:J3.382.202B
Beilstein Number:26613272
XlogP3-AA:1.30 (est)
Molecular Weight:394.49502000
Formula:C18 H26 N4 O4 S
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavor modifiers
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:2236 (S)-1-(3-(((4-amino-2,2-dioxido-1H-benzo[c][1,2,6]thiadiazin-5-yl)oxy)methyl)piperidin-1-yl)-3-methylbutan-1-one
FEMA Number:4802 (S)-1-(3-(((4-amino-2,2-dioxido-1H-benzo[c][1,2,6]thiadiazin-5-yl)oxy)methyl)piperidin-1-yl)-3-methylbutan-1-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 water, 215.1 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:
flavor modifiers
Recommendation for (S)-1-(3-(((4-amino-2,2-dioxido-1H-benzo[c][1,2,6]thiadiazin-5-yl)oxy)methyl)piperidin-1-yl)-3-methylbutan-1-one usage levels up to:
 not for fragrance use.
 
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: 27. Update in publication number(s): 28
Click here to view publication 27
 average usual ppmaverage maximum ppm
baked goods: 6.000006.00000
beverages(nonalcoholic): 2.500006.00000
beverages(alcoholic): 2.500006.00000
breakfast cereal: 6.000006.00000
cheese: --
chewing gum: 6.000006.00000
condiments / relishes: 6.000006.00000
confectionery froastings: 6.000006.00000
egg products: --
fats / oils: 3.000006.00000
fish products: --
frozen dairy: 3.000006.00000
fruit ices: 3.000006.00000
gelatins / puddings: 3.000006.00000
granulated sugar: --
gravies: 3.000006.00000
hard candy: 3.000006.00000
imitation dairy: 2.500006.00000
instant coffee / tea: 2.500006.00000
jams / jellies: 6.000006.00000
meat products: --
milk products: 2.500006.00000
nut products: 3.000006.00000
other grains: --
poultry: --
processed fruits: 3.000006.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 3.000006.00000
snack foods: 6.000006.00000
soft candy: 6.000006.00000
soups: 3.000006.00000
sugar substitutes: --
sweet sauces: 3.000006.00000
 
Safety References:
European Food Safety Authority (EFSA) reference(s):

Scientific Opinion of Flavouring Group Evaluation 406 (FGE.406): (S)-1-(3-(((4-amino-2,2-dioxido-1H-benzo[c][1,2,6]thiadiazin-5-yl)oxy)methyl)piperidin-1-yl)-3-methylbutan-1-one
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :73213585
National Institute of Allergy and Infectious Diseases:Data
1-[(3S)-3-{[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]methyl}-1-piperidinyl]-3-methyl-1-butanone
Chemidplus:1469426649
 
References:
 1-[(3S)-3-{[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]methyl}-1-piperidinyl]-3-methyl-1-butanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):73213585
Pubchem (sid):274739449
 
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):Search
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1-[(3S)-3-{[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]methyl}-1-piperidinyl]-3-methyl-1-butanone
(S)-1-(3-(((4-amino-2,2-dioxido-1H-benzo[c][1,2,6]thiadiazin-5-yl)oxy)methyl) piperidin-1-yl)-3-methyl butan-1-one
1-butanone, 1-[(3S)-3-[[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]methyl]-1-piperidinyl]-3-methyl-
 
 
Notes:
None found
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