Basic information
- Standard SMILES
CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]- InChIKey
WBZFUFAFFUEMEI-UHFFFAOYSA-M- Molecular formula
- C4H4KNO4S
- Average molar mass
- 201.24 g/mol
- Monoisotopic mass
- 200.94981029
Overview
Acesulfame k is a sulfuric acid derivative.
Names & identifiers
- Preferred name
- Acesulfame Potassium
- IUPAC
- potassium 6-methyl-2,2-dioxo-1-oxa-2λ6-thia-3-azanidacyclohex-5-en-4-one
- English name
- Acesulfame potassium
- Molecular formula
- C4H4KNO4S
- Molecular weight
- 201.24
Names & synonyms
Show more names
Database identifiers
- CAS
55589-62-3- PubChem CID
- 11074431
- DTXSID
DTXSID1030606- ChEMBL
CHEMBL1351474- ChEBI
CHEBI:184415- EC Number
- 259-715-3
Properties
Computed structural properties
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 229 · 229-232°C (dec.)
- Boiling point
- 210 ℃[at · 210℃[at 101 325 Pa]
- Density
- 1.81 g/cm3; · (solid) 1.81 g/cm3; d (bulk) 1.1-1.3 kg/dm3
- vapor pressure
- 0.291 Pa · 0.291Pa at 25℃
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in water, very slightly soluble in acetone and in ethanol (96 per cent).
- form
- Solid
- color
- White crystalline solid
- Odor
- odorless with sweet taste
- Odor Type
- odorless
- Water Solubility
- almost transparency
- Merck
- 14 · 14,37
- BRN
- 3637857 · 3637857
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- FRAGRANCE
- InChI
- 1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1
- InChIKey
- WBZFUFAFFUEMEI-UHFFFAOYSA-M
- SMILES
- [K+].CC1=CC(=O)[N-]S(=O)(=O)O1
- LogP
- -2.35 at · -2.35 at 23℃
- CAS DataBase Reference
- 55589 · 55589-62-3(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- ACESULFAME POTASSIUM
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 23 OV73Q5G9 · 23OV73Q5G9
- EPA Substance Registry System
- Acesulfame-potassium (55589-62-3)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 1 · 1
- RTECS
- 4489165 · RP4489165
- HS Code
- 2934990002 · 2934990002
- Storage Class
- 11 · 11 - Combustible Solids
- Toxicity
- 50 in · LD50 in rats (mg/kg): 7431 orally, 2243 i.p. (Mayer, Kemper)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.9% (174 of 176) of all reports.
Not Classified
Aggregated GHS information provided per 176 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt
Regulation (EC) No 1333/2008 (amended)
1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10775
Potassium acesulfame: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 1
- rtecs
- RP4489165
- hs_code
- 2934990002
- Toxicity
- LD50 in rats (mg/kg): 7431 orally, 2243 i.p. (Mayer, Kemper)
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
Use Classification
Food additives
Food Additives -> FLAVOUR_ENHANCER; SWEETENER -> JECFA Functional Classes
Food Additives -> FLAVOUR_ENHANCER; SWEETENER -> JECFA Functional Classes
Cosmetics -> Masking; Oral care
Applications
DescriptionAcesulfame potassium is approved for use in food as a sweetener. It is included in the ingredient list on the food label as acesulfame K, acesulfame potassium, or Ace-K. Acesulfame potassium (Ace-K) is regulates as a food additive. The FDA approved acesulfame potassium for use in specific food and beverage categories in 1988 and in 2003 approved it as a general-purpose sweetener and flavor enhancer in food, except in meat and poultry, under certain conditions of use. It is widely used in the food industry, such as mouthwash and soft drinks. However, some researches have found that it does harm to the liver and nervous system[1-2].
HistoryAcesulfame-K, the potassium salt of acesulfame, is a sweetener that resembles saccharin in structure and taste profile. 5,6-Dimethyl-1,2,3-oxathiazine-4(3H)-one 2,2-dioxide, the first of many sweet compounds belonging to the dihydrooxathiazinone dioxide class, was discovered accidentally in 1967. From these many sweet compounds, acesulfame was chosen for commercialization. To improve water solubility, the potassium salt was made. Acesulfame-K (Sunett) was approved for dry product use in the United States in 1988 and in Canada in October, 1994. In 2003, acesulfame-K was approved as a general purposes sweetener by the FDA.
Uses'New generation', heat-stable sweetener that has not been suspected to cause cancer nor be genotoxic. Allelic variation of the Tas1r3 gene affects behavioral taste responses to this molecule, suggesting that it is a T1R3 receptor ligand.
UsesAcesulfame-K is the potassium salt of 6-methyl-l,2,3-oxathiazin-4(3H)- one-2,2-dioxide. This sweetener was discovered in Germany and was first approved by the FDA in 1988 for use as a nonnutritive sweetener. The complex chemical name of this substance led to the creation of the trademark common name, acesulfame-K, which is based on its following relationships to acetocetic acid and sulfanic acid, and to its potassium salt nature. Acesulfame-K is 200 times as sweet as sugar and is not metabolized and is thus noncaloric. It is exceptionally stable at elevated temperatures encountered in baking, and it is also stable in acidic products, such as carbonated soft drinks. It has a synergistic effect when mixed with other low-calorie sweetners, such as aspartame. Common applications of acesulfame-K are table uses, chewing gums, beverages, foods, bakery products, confectionary, oral hygiene products, and pharmaceuticals.
UsesPotassium salt as sweetener for foods, cosmetics.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Additional notes
DefinitionChEBI: Acesulfame k is a sulfuric acid derivative.
Related reactions
Linked notes
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