基本情報
- CAS
6100-05-6- 標準SMILES
O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+]- InChIKey
PJAHUDTUZRZBKM-UHFFFAOYSA-K- 分子式
- C6H7K3O8
- 平均分子量
- 324.41 g/mol
- 単同位体質量
- 323.9052116
名称と識別子
- 優先名称
- Potassium Citrate
- IUPAC
- tripotassium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate
- 現地名
- くえん酸カリウム·水和物
- 英語名
- Potassium citrate monohydrate
- 分子式
- C6H11KO8
- 分子量
- 250.24
名称と別名
名称をさらに表示
データベース識別子
- CAS
6100-05-6、866-84-2- PubChem CID
- 2735208
- DTXSID
DTXSID8042501- ChEMBL
CHEMBL3989822- ChEBI
CHEBI:64746- UNII
- EE90ONI6FF
- EC Number
- 612-062-1、934-739-3
物性
構造計算による物性
- 極性表面積
- 142 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 2
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 211
実験および物理化学的性質
物理化学的性質
- 融点
- 275 °C · 275 °C (dec.)(lit.)
- 比重(密度)
- 1.98 · 1.98
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 2 O: · H2O: 1M at20℃、透明、無色
- 外見
- 粒状
- 比重
- 1.98 · 1.98
- 色
- 白色結晶
- 臭い (Odor)
- 無臭
- PH
- 7.5 · 7.5-9.0 (25℃, 50mg/mL in H2O)
- 水溶解度
- 水およびグリセロールに可溶。アルコールにほとんど溶けず、水とグリセロールに溶ける。アルコールに不溶
- Merck
- 14 · 14,7623
- BRN
- 3924344 · 3924344
- 安定性
- 安定。強力な酸化剤とは相容れない。
- InChI
- 1S/C6H8O7.3K.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2/q;3*+1;/p-3
- InChIKey
- PJAHUDTUZRZBKM-UHFFFAOYSA-K
- SMILES
- O.[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
- CAS データベース
- 6100 · 6100-05-6(CAS DataBase Reference)
- EPAの化学物質情報
- Tripotassium citrate monohydrate (6100-05-6)
化学的性質
化学的特性White/clear crystalline powder
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (181 of 181) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 181 of 181 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 181 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 181 of 181 reports by companies.;There are 0 notifications provided by 0 of 181 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Not Classified;Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt, monohydrate
Tripotassium citrate monohydrate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Not Classified
Not Classified
安全と保護具
Protective Action Criteria (PAC)
2.1 [mg/m3]
23 [mg/m3]
140 [mg/m3]
2.2 [mg/m3]
24 [mg/m3]
150 [mg/m3]
毒性情報
法規制情報
Regulatory Information
Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt, monohydrate
Tripotassium citrate monohydrate: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 3
- wgk
- 1
- tsca
- Yes
- hs_code
- 29181500
- risk_code
- 22-35
- hazard_code
- F,T,C,Xi
- safety_code
- 26-36/37/39-45-24/25
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
ATC Code
A - Alimentary tract and metabolism;A12 - Mineral supplements;A12B - Potassium;A12BA - Potassium;A12BA02 - Potassium citrate
QA - Alimentary tract and metabolism;QA12 - Mineral supplements;QA12B - Potassium;QA12BA - Potassium;QA12BA02 - Potassium citrate
Pharmacodynamics
Potassium citrate induces changes in the urine which renders urine less susceptible to the formation of crystals and stones from salts e.g. calcium oxalate, calcium phosphate and uric acid. Increased citrate levels in the urine will make complexation with calcium which decrease the calcium ion activity and decrease the chance for the formation of calcium phosphate crystals. Citrate also inhibits the spontaneous nucleation of calcium oxalate and calcium phosphate.
Mechanism of Action
After oral administration of potassium citrate, its metabolism yields alkaline load. Potassium Citrate therapy appears to increase urinary citrate mainly by modifying the renal handling of citrate, rather than by increasing the filtered load of citrate. In addition to raising urinary pH and citrate, Potassium Citrate increases urinary potassium by approximately the amount contained in the medication. In some patients, Potassium Citrate causes a transient reduction in urinary calcium.
FDA Pharmacological Classification
KALI CITRICUM
Calcium Chelating Activity [MoA]; Decreased Coagulation Factor Activity [PE]; Calculi Dissolution Agent [EPC]; Acidifying Activity [MoA]; Anti-coagulant [EPC]
POTASSIUM CITRATE
Calculi Dissolution Agent [EPC]; Calcium Chelating Activity [MoA]; Decreased Coagulation Factor Activity [PE]; Acidifying Activity [MoA]; Anti-coagulant [EPC]
MeSH Pharmacological Classification
Agents that promote the excretion of urine through their effects on kidney function.
Agents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here.
用途と製造
Uses
CIR ingredient: Potassium Citrate
Used in food (sequestrant, emulsifier, and stabilizer) and in medicine as an alkalinizing agent and antiurolithic; [Merck Index] Used as a flavoring agent, nutritional supplement, pH control agent, and sequestrant for foods; [FDA]
Household Products
Information on 2 consumer products that contain Potassium Citrate in the following categories is provided:;• Commercial / Institutional
Information on 29 consumer products that contain Potassium Citrate in the following categories is provided:;• Auto Products;• Commercial / Institutional;• Inside the Home
Use Classification
EPA Safer Chemical Functional Use Classes -> Chelating Agents;Processing Aids and Additives
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Food Additives -> ACIDITY_REGULATOR; SEQUESTRANT; STABILIZER -> JECFA Functional Classes
応用分野
用途重金属分析における補助キレート剤、緩衝剤。
用途緩衝剤、pH調整剤、調製液原料。
用途医薬品原料
使用Tripotassium Citrate Monohydrate is used in manufacturing method of printed circuit board for autonomous vehicle to perform recognition, judgment, determination and execution.Citric acid is a weak organic acid that is known as a commodity chemical, as more than a million tonnes are produced every year by mycological fermentation on an industrial scale using crude sugar solutions, such as molasses and strains of Aspergillus niger. Citric acid is widely distributed in plants and in animal tissues and fluids and exist in greater than grace amounts in variety of fruits and vegetables, most notably in citrus fruits such as lemon and limes. Citric acid is mainly used as an acidifier, flavoring agent and chelating agent. Citric acid is also a metabolite of Dimethyl Fumarate (D464965), a compound
一般的な説明Potassium citrate tribasic monohydrate (KCTM) is a potassium salt that has been reported to be efficient in forming aqueous two-phase system (ATPS) with UCON 50-HB-5100, a random copolymer. This product is a high quality pharmacopoeia product that meets the testing specifications of USP (United States Pharmacopoeia). It can be employed in research and pilot studies.
調製方法
Potassium citrate is prepared by adding either potassium bicarbonate or potassium carbonate to a solution of citric acid until effervescence ceases. The resulting solution is then filtered and evaporated to dryness to obtain potassium citrate.
純化方法It solubility in H2O is 154% and it loses H2O at 180o. [Beilstein 3 III 1091.]
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ChEBI: A hydrate that is the monohydrate form of potassium citrate.
関連反応
化合物ノート
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