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N-シクロヘキシルスルファミン酸
N-シクロヘキシルスルファミン酸 · シクロヘキシルスルファミン酸 · ヘキサミン酸 · N-シクロヘキシルアミド硫酸 · シクラミン酸 · スカリル酸 · スカリル · シクラマート
識別子と物理属性
| CAS No. | 100-88-9 |
|---|---|
| 分子式 | C6H13NO3S |
| 平均分子量 | 179.24 g/mol |
| 単同位体質量 | 179.06161428 g/mol |
| SMILES | O=S(=O)(O)NC1CCCCC1 |
| InChIKey | HCAJEUSONLESMK-UHFFFAOYSA-N |
| PubChem CID | 7533 |
| ChEMBL | CHEMBL1206440 |
| ChEBI | CHEBI:15964 |
| EC No. | 202-898-1 |
| DTXSID | DTXSID5041809 |
| 現地名 | N-シクロヘキシルスルファミン酸 |
化学・物理的性質
| XLogP | 0.6 |
|---|---|
| 極性表面積 | 74.8 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 2 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 200 |
| 物質分類 | Other Uses -> Food Additives |
| pH | pH of 10% aqueous solution: 0.8-1.6 |
| SpringerMaterials Properties | Crystal structure |
| 臭い | Odorless |
| 味 | Sweet-sourA bitter taste becomes noticeable when quantity in foods approaches 0.5%. |
| Color/Form | CrystalsWhite crystalline powder |
| 溶解度 | 1 G DISSOLVES IN ABOUT 7.5 ML OF WATER, 4 ML OF ALC, 4 ML OF PROPYLENE GLYCOL, OR 6 ML OF ACETONESLIGHTLY SOL IN CHLOROFORM AND INSOL IN HEXANEVery soluble in alkaliSoluble in alcoholinsoluble in oils1000000 mg/L @ 25 °C (exp)ジオキサン：可溶1g/10mL、無色透明（高温）133g/L |
| Human Drugs | Breast FeedingLactationMilk, HumanArtificial SweetenersSweetening Agents |
| Decomposition | When heated to decomposition it emits toxic fumes of sulfoxides and nitroxides.When heated to decomposition it emits toxic fumes of sulfoxides and nitroxides. /Calcium cyclamate dihydrate/ |
| 融点 | 169.5 °C169 - 170 °C~180 °C (dec.) |
| 蒸気圧 | 0.0000027 [mmHg]0Pa at 25℃ |
| Physical Description | Large CrystalsWhite odorless solid[Hawley] Fine white crystals[MSDSonline] |
| 沸点 | 332.48℃[at 101 325 Pa] |
| 密度 | 1.149 (estimate) |
| 屈折率 | 1.5500 (estimate) |
| 貯蔵条件 | Refrigerator |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | pKa 2.28(H2O t=RT c=0.056) (Uncertain) |
| 色 | 白い |
| Merck | 14,2703 |
| BRN | 2208885 |
| InChI | 1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10) |
| InChIKey | HCAJEUSONLESMK-UHFFFAOYSA-N |
| SMILES | OS(=O)(=O)NC1CCCCC1 |
| LogP（分配係数） | -1.61 at 25℃ |
| CAS データベース | 100-88-9(CAS DataBase Reference) |
| NISTの化学物質情報 | N-cyclohexylsulfamic acid(100-88-9) |
| EPAの化学物質情報 | Cyclamic acid (100-88-9) |
化学的特性
White Solid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 25% (7 of 28) of reports.WarningH315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 28 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Sulfamic acid, N-cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Sulfamic acid, N-cyclohexyl- 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: 26-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28203Sulfamic acid, cyclohexyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 有害性の概要 | In lethal dose studies, mice have seizuresOral LD50 (mouse) = 680 mg/kgOral LD50 (rat) = 12,000 mg/kg[ChemIDplus] No toxic effects found in rats fed high doses for entire life[HSDB] An irritantMay cause skin sensitizationEffects in lethal-dose animal studies include convulsions and injury to liver and kidneys[MSDSonline] See Potassium cyclamate. See Sodium cyclamate. |
| FDA 要件 | Cyclamate and its derivatives. Calcium, sodium, magnesium and potassium salts of cyclohexane sulfamic acid. Cyclamates are synthetic chemicals having a sweet taste 30 to 40 times that of sucrose, are not found in natural products at levels detectable by the official methodology, and have been used as artificial sweeteners. Food containing any added or detectable level of cyclamate is deemed to be adulterated in violation of the act based upon an order published in the Federal Register of October 21, 1969 (34 FR 17063). |
| Hazard Classes and Categories | Skin Irrit. 2 (71.4%) |
| 処分方法 | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality |
用途
使用
A non-nutritive sweetener.The sweetness is approximately 30 times that of cane sugar, while the acidity provided by this material is even greater than that derived from an equal weight of Citric acid.Cyclamic acid is being used on an increasing scale (1966) as a sweet acidifying agent in soft drinks of no nutritional value (diet-soda, lowc.rdorie carbonated beverages, etc.).
一般的な説明
The N-cyclohexylsulfamic acid salts of wellknown therapeutic agents were prepared.