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3-((4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)-2,2-dimethyl-N-propyl propanamide
3-[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide

Sponsors

Name:N-[3-[(4-amino-2,2-dioxo-1H-2?6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-propyl]propanamide
CAS Number: 1093200-92-0Picture of molecule3D/inchi
Nikkaji Web:J3.382.201D
XlogP3-AA:0.90 (est)
Molecular Weight:354.43014000
Formula:C15 H22 N4 O4 S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
The substance is provided as a sodium salt dissolved in an aqueous sodium hydroxide solution: the N-1 hydrogen is apparently acidic. The molecular weight in the table refer to the sodium salt.
Category:flavor modifiers
 
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
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:2082 3-[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide
FLAVIS Number:16.126 (Old)
DG SANTE Food Flavourings:16.126 3-[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide
FEMA Number:4701 3-[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-[(4-AMINO-2,2-DIOXIDO-1H-2,1,3-BENZOTHIADIAZIN-5-YL)OXY]-2,2-DIMETHYL-N-PROPYLPROPANAMIDE
 
Physical Properties:
Appearance:white powder (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 229.00 to 233.00 °C. @ 760.00 mm Hg
Flash Point: 32.00 °F. TCC ( 0.00 °C. ) (est)
logP (o/w): 1.064 (est)
Soluble in:
 alcohol
 water, 144.6 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Taste Description: sweet
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
3-((4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)-2,2-dimethyl-N-propyl propanamide
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:
gavage-rat LD50 [sex: F] >50 mg/kg
(Arulnesan, 2008) GLP study of good quality according to OECD Guideline.

gavage-mouse LD50 [sex: M] >2000 mg/kg
(Cardoso, 2009b) NOAEL 2000 mg/kg bw. GLP study but not according to OECD Guideline.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor modifiers
Recommendation for 3-((4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)-2,2-dimethyl-N-propyl propanamide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 240.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 4200 (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. Update in publication number(s): 27, 28
 average usual ppmaverage maximum ppm
baked goods: 10.0000022.00000
beverages(nonalcoholic): --
beverages(alcoholic): 5.0000022.00000
breakfast cereal: 15.0000022.00000
cheese: --
chewing gum: 30.00000300.00000
condiments / relishes: 3.0000022.00000
confectionery froastings: 10.0000022.00000
egg products: --
fats / oils: --
fish products: 10.0000022.00000
frozen dairy: 5.0000022.00000
fruit ices: 5.0000022.00000
gelatins / puddings: 5.0000022.00000
granulated sugar: --
gravies: --
hard candy: 15.0000075.00000
imitation dairy: 5.0000022.00000
instant coffee / tea: 5.0000022.00000
jams / jellies: 10.0000022.00000
meat products: 10.0000022.00000
milk products: 3.0000022.00000
nut products: --
other grains: --
poultry: 10.0000022.00000
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 10.0000022.00000
snack foods: --
soft candy: 15.0000075.00000
soups: --
sugar substitutes: --
sweet sauces: 10.0000022.00000
 
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): 3.0000022.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): 5.0000022.00000
Processed fruit (04.1): 10.0000022.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 15.0000075.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 15.0000022.00000
Bakery wares (07.0): 10.0000022.00000
Meat and meat products, including poultry and game (08.0): --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): 5.0000022.00000
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 10.0000022.00000
Foodstuffs intended for particular nutritional uses (13.0): 5.0000022.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000022.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): --
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 312 (FGE.312): 3-[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :44628330
National Institute of Allergy and Infectious Diseases:Data
N-[3-[(4-amino-2,2-dioxo-1H-2?6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-propyl]propanamide
 
References:
 N-[3-[(4-amino-2,2-dioxo-1H-2?6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-propyl]propanamide
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):44628330
Pubchem (sid):274739448
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
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:
3-(4-amino-1H-benzo[c][1,2,6]thiadiazin-5-yloxy)-2,2-dimethyl-N-propylpropanamide-2,2-dioxide
3-(4-amino-2,2-dioxide-lH-benzo[c] [l,2,6]thiadiazin-5-yloxy)-2',2t-dimethyl-N-propylpropanamide
N-[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)]-2,2-dimethyl-N-propylpropanamide
3-[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide
N-[3-[(4-amino-2,2-dioxo-1H-2lamda6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-propyl]propanamide
 
 
Notes:
Chemical Nomenclature provided by BARK Information Services.
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