| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 1093200-92-0 |
| FDA UNII: | Search |
| Category: | flavor modifiers |
| IUPAC Name: | 3-((4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy)-2,2-dimethyl-N-propyl propanamide |
| InChI : | InChI=1/C15H22N4O4S/c1-4-12(20)17-8-15(2,3)9-23-11-7-5-6-10-13(11)14(16)19-24(21,22)18-10/h5-7,18H,4,8-9H2,1-3H3,(H2,16,19)(H,17,20) |
| Std.InChI: | InChI=1S/C15H22N4O4S/c1-4-12(20)17-8-15(2,3)9-23-11-7-5-6-10-13(11)14(16)19-24(21,22)18-10/h5-7,18H,4,8-9H2,1-3H3,(H2,16,19)(H,17,20) |
| InChIKey : | SCWJCZWFOPXIOW-UHFFFAOYAW |
| Std.InChIKey: | SCWJCZWFOPXIOW-UHFFFAOYSA-N |
| SMILES : | CCC(=O)NCC(C)(C)COc1cccc2c1C(=NS(=O)(=O)N2)N |
| Molar Refractivity : | 89.62 ± 0.5 cm3 (est) |
| Parachor : | 688.6 ± 8.0 cm3 (est) |
| Index of Refraction : | 1.621 ± 0.05 (est) |
| Surface Tension : | 53.3 ± 7.0 dyne/cm (est) |
| Density : | 1.39 ± 0.1 g/cm3 (est) |
| Polarizability : | 35.53 ± 0.5 10-24cm3 (est) |
| 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 |
| JECFA Food Flavoring: | 2082 3-[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide |
| 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 (SATF): | 1093200-92-0 ; 3-[(4-AMINO-2,2-DIOXIDO-1H-2,1,3-BENZOTHIADIAZIN-5-YL)OXY]-2,2-DIMETHYL-N-PROPYLPROPANAMIDE |
| 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 | |
| None found |
| 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 |
| 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 | |
| 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, 29 | |||
| Click here to view publication 25 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.10000 | 22.00000 | |
| beverages(nonalcoholic): | 5.00000 | 22.00000 | |
| beverages(alcoholic): | 5.00000 | 22.00000 | |
| breakfast cereal: | 10.00000 | 22.00000 | |
| cheese: | - | - | |
| chewing gum: | 30.00000 | 300.00000 | |
| condiments / relishes: | 5.00000 | 22.00000 | |
| confectionery froastings: | 10.00000 | 22.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | 5.00000 | 22.00000 | |
| frozen dairy: | 5.00000 | 22.00000 | |
| fruit ices: | 5.00000 | 22.00000 | |
| gelatins / puddings: | 5.00000 | 22.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 15.00000 | 75.00000 | |
| imitation dairy: | 5.00000 | 22.00000 | |
| instant coffee / tea: | 5.00000 | 22.00000 | |
| jams / jellies: | 10.00000 | 22.00000 | |
| meat products: | 5.00000 | 22.00000 | |
| milk products: | 5.00000 | 22.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | 5.00000 | 22.00000 | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 10.00000 | 22.00000 | |
| snack foods: | - | - | |
| soft candy: | 15.00000 | 75.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 10.00000 | 22.00000 | |
| 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/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 3.00000 | 22.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | 5.00000 | 22.00000 | |
| Processed fruit (04.1): | 10.00000 | 22.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 15.00000 | 75.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 15.00000 | 22.00000 | |
| Bakery wares (07.0): | 10.00000 | 22.00000 | |
| 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): | 5.00000 | 22.00000 | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 10.00000 | 22.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 5.00000 | 22.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 22.00000 | |
| 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): | - | - | |
| 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 |
| 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 |
| (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 |
| FDA Listing of Food Additive Status: | View |
| ChemSpider: | View |
| None Found |
| None Found |
| not found in nature |
| 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 |
| WIPO Patents:MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH |
| Leffingwell & Associates:Flavor Properties of FEMA GRAS List 25 flavor chemicals |
