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WS-23
WS-23 is a synthetic cooling agent known as 2-isopropyl-N,2,3-trimethylbutyramide, used for its minty cooling flavor and fragrance effects.
General Material Description
WS-23, chemically identified as 2-isopropyl-N,2,3-trimethylbutyramide, is a synthetic amide compound widely recognized for its cooling sensory effect. It appears as a white crystalline solid with a melting point between 60 and 64°C. Organoleptically, WS-23 imparts a mild, menthol-like minty flavor and odor with a low odor strength, providing a cooling sensation without the characteristic sharpness of menthol. This compound is documented under the CAS number 51115-67-4 and can be referenced through authoritative databases such as PubChem. WS-23 is produced synthetically, and its purity and stability enable its use in various flavor and fragrance formulations offering a fresh and cooling attribute.
Occurrence, Applicability & Potential Uses
WS-23 does not occur naturally but is synthetically manufactured for use in flavor and fragrance applications. Its cool minty effect without a strong odor makes it suitable for enhancing beverage flavors, confectionery products, and various cosmetic formulations. The compound is also utilized in tobacco products to provide a refreshing cooling experience. WS-23's application aligns with standards such as FEMA (US), where it is listed under FEMA number 3804, emphasizing its recognized use as a flavoring substance. Its sensory profile supports formulation efforts requiring cooling without overpowering menthol notes.
Physico-Chemical Properties Summary
WS-23 is characterized by moderate volatility with a vapor pressure of approximately 0.057 mmHg at 25°C, making it sufficiently stable under typical formulation conditions. Its melting point ranges from 60 to 64°C and it boils between 233 and 234°C at atmospheric pressure. The compound exhibits an estimated logP value of 2.3, indicating moderate lipophilicity and solubility in oils, alcohols, and propylene glycol, with limited water solubility estimated at 459 mg/L at 25°C. The flash point is relatively high at 269°F (approximately 132°C), contributing to its safe handling under standard manufacturing conditions. These properties support WS-23's integration into diverse product matrices, allowing the sustained release of its cooling effect.
FAQ
What is WS-23 and what are its main characteristics?
WS-23 is a synthetic cooling agent chemically known as 2-isopropyl-N,2,3-trimethylbutyramide. It presents as a white crystalline solid with minty, menthol-like flavor and odor at low intensity. It provides a cooling sensation without the strong odor associated with menthol, making it useful in flavor and fragrance formulations. Its stability and sensory properties distinguish it from natural cooling compounds.
How and where is WS-23 typically used in products?
WS-23 is applied synthetically in flavor and fragrance products to impart a fresh, cooling effect. It finds use primarily in beverage flavorings, confectionery, cosmetic fragrances, and tobacco product formulations. Its compatibility with solvents like alcohols and oils facilitates its inclusion in varied matrices. It does not occur naturally and is manufactured to specified quality standards for commercial use.
What regulations or safety standards apply to WS-23?
WS-23 is listed under FEMA (US) number 3804 and has been evaluated for safety as a flavoring substance by authoritative bodies. It is included in Industry standards such as the IFRA Code of Practice (Global) for fragrance use. Safety data classify it as an irritant primarily to eyes, necessitating appropriate protective measures during handling. Usage levels in foods and beverages are regulated to ensure consumer safety according to regulatory guidelines.
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 |
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 |
|
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 |