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WS-23
General Material Information
| Preferred name | WS-23 |
| Trivial Name | N,2,3-Trimethyl-2-isopropylbutanamide |
| Short Description | 2-isopropyl-N,2,3-trimethylbutyramide |
| Formula | C10 H21 N O |
| CAS Number | 51115-67-4 |
| FEMA Number | 3804 |
| Flavis Number | 16.053 |
| ECHA Number | 256-974-4 |
| FDA UNII | 6QOP5A9489 |
| Nikkaji Number | J261.643B |
| MDL | MFCD00130070 |
| COE Number | 10459 |
| xLogP3-AA | 2.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1595 2-isopropyl-N,2,3-trimethylbutyramide |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 51115-67-4 ; 2-ISOPROPYL-N,2,3-TRIMETHYLBUTYRAMIDE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| Leffingwell: | Chirality or Article |
| N,2,3-trimethyl-2-propan-2-ylbutanamide | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 65300 |
| Pubchem (sid): | 135021822 |
| Publications by Info | |
| aliphatic and aromatic amines and amides | |
| Publications by US Patents | |
| 8,487,130 - Menthylcarboxamides and their use as cooling agents | |
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): | HMDB36195 |
| FooDB: | FDB015050 |
| Export Tariff Code: | 2924.19.1150 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 171.28356933594 |
| Melting Point | 60 to 64°C @ 760 mm Hg |
| Boiling Point | 233 to 234°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.057 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 131.67 °C TCC |
| logP (o/w) | 2.301 est |
| Solubility | |
| alcohol | Yes |
| oils | Yes |
| propylene glycol | Yes |
| water, 459.1 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Minty | |
| cooling, mentholic, minty | |
| Odor strength | low |
| Luebke, William tgsc, (2009) | At 25.00 % in dipropylene glycol. mild cooling mentholic minty |
| Flavor Type: Minty | |
| mentholic, minty, cooling, fresh | |
| Luebke, William tgsc, (2009) | Mentholic minty cooling fresh |
| General comment | Medicinal, menthol. / Initial menthol taste that fades to lingering cooling feel |
Potential Uses
| Applications | |
| Odor purposes | Mint, Tobacco |
| Flavoring purposes | Beverage |
| Other purposes | Confection, Cosmetics |
| Cosmetic purposes | Fragrance |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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 and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 24.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1054.00 (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: 17. Update in publication number(s): 19 | |||
| Click here to view publication 17 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 3.00000 | 8.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 750.00000 | 3000.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 50.00000 | 150.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 50.00000 | 50.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| 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): |
| Flavouring Group Evaluation 86, (FGE.86)[1] - Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting) - Scientific Opinion of the Panel on Food Additives - Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 86, Revision 1 (FGE.86Rev1): Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 86, Revision 2 (FGE.86Rev2): Consideration of aliphatic and arylalkyl amines and amides evaluated by JECFA (65th meeting) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :65300 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| N,2,3-trimethyl-2-propan-2-ylbutanamide |
| Chemidplus:0051115674 |