基本情報
- CAS
55589-62-3- 標準SMILES
CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]- InChIKey
WBZFUFAFFUEMEI-UHFFFAOYSA-M- 分子式
- C4H4KNO4S
- 平均分子量
- 201.24 g/mol
- 単同位体質量
- 200.94981029
概要
Acesulfame k is a sulfuric acid derivative.
名称と識別子
- 優先名称
- Acesulfame Potassium
- IUPAC
- potassium 6-methyl-2,2-dioxo-1-oxa-2λ6-thia-3-azanidacyclohex-5-en-4-one
- 現地名
- アセスルファムK
- 英語名
- Acesulfame potassium
- 分子式
- C4H4KNO4S
- 分子量
- 201.24
名称と別名
名称をさらに表示
データベース識別子
- CAS
55589-62-3- PubChem CID
- 11074431
- DTXSID
DTXSID1030606- ChEMBL
CHEMBL1351474- ChEBI
CHEBI:184415- EC Number
- 259-715-3
物性
構造計算による物性
- 極性表面積
- 69.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 288
実験および物理化学的性質
物理化学的性質
- 融点
- 229 · 229-232°C (dec.)
- 沸点
- 210 ℃[at · 210℃[at 101 325 Pa]
- 比重(密度)
- 1.81 g/cm3; · (solid) 1.81 g/cm3; d (bulk) 1.1-1.3 kg/dm3
- 蒸気圧
- 0.291 Pa · 0.291Pa at 25℃
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 水に溶け、アセトンとエタノールに非常に溶けにくい (96%)。
- 外見
- Solid
- 色
- 白色結晶性固体
- 臭い (Odor)
- 甘味のある無臭
- においのタイプ
- 無臭
- 水溶解度
- ほとんど透明
- Merck
- 14 · 14,37
- BRN
- 3637857 · 3637857
- 主な用途
- フレーバーそして香料
- 化粧品成分の機能
- 香料
- 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 データベース
- 55589 · 55589-62-3(CAS DataBase Reference)
- EPAの化学物質情報
- Acesulfame-potassium (55589-62-3)
化学的性質
化学的特性Acesulfame potassium occurs as a colorless to white-colored, odorless, crystalline powder with an intensely sweet taste.
化学性质ヘテロ環化合物
安全と法規制
GHS分類
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.
危険有害性情報
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
安全データ
- wgk
- 1
- rtecs
- RP4489165
- 毒性
- LD50 in rats (mg/kg): 7431 orally, 2243 i.p. (Mayer, Kemper)
- hs_code
- 2934990002
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
Use Classification
Food additives
Food Additives -> FLAVOUR_ENHANCER; SWEETENER -> JECFA Functional Classes
Food Additives -> FLAVOUR_ENHANCER; SWEETENER -> JECFA Functional Classes
Cosmetics -> Masking; Oral care
応用分野
解説人工甘味料の一。砂糖の200倍の甘さをもつがカロリーはゼロ。アセスルファムK。化学式C4H4KNO4S小学館 デジタル大辞泉について 情報 | 凡例
用途甘味料研究用。
用途アセスルファムK定量用。
来歴Acesulfame-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.
使用'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.
調製方法
Acesulfame potassium is synthesized from acetoacetic acid tertbutyl ester and fluorosulfonyl isocyanate. The resulting compound is transformed to fluorosulfonyl acetoacetic acid amide, which is then cyclized in the presence of potassium hydroxide to form the oxathiazinone dioxide ring system. Because of the strong acidity of this compound, the potassium salt is produced directly. An alternative synthesis route for acesulfame potassium starts with the reaction between diketene and amidosulfonic acid. In the presence of dehydrating agents, and after neutralization with potassium hydroxide, acesulfame potassium is formed.
上流・下流製品情報
上流原料
サプライヤー100 社
補足説明
定義本品は、含硫複素環式化合物のカリウム塩であり、次の化学式で表される。
関連反応
化合物ノート
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