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Tripotassium citrate

HCID 13344
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
7778-49-6
표준 SMILES
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+]
InChIKey
QEEAPRPFLLJWCF-UHFFFAOYSA-K
분자식
C6H5K3O7
평균 분자량
306.39 g/mol
단동위원소 질량
305.8946469

개요

Potassium citrate (anhydrous) is the anhydrous form of the tripotassium salt of citric acid. It has a role as a diuretic. It contains a citrate(3-).

이름 및 식별자

우선 이름
Tripotassium citrate
IUPAC
tripotassium;2-hydroxypropane-1,2,3-tricarboxylate
영어명
1,2,3-Propanetricarboxylicacid,2-hydroxy-,potassiumsalt
분자식
C6H9KO7
분자량
232.23

이름 및 동의어

TRIPOTASSIUM CITRATE866-84-2KaliksirLitocitPotassium citrate anhydrousPorekalKajosUrocit KSeltz-KK citrateCitric acid, tripotassium saltPotassium tribasic citrate
이름 더 보기
PotassiumCitrateBpTripotassium citratTripotassium Citrate,>98%PotassiumCitrate(FoodGrade)citric acid, potassium salthigh qualtiy Potassium CitrateTIANFU-CHEM CAS NO.7778-49-6 Tripotassium citrate2,3-propanetricarboxylicacid,2-hydroxy-potassiumsalt1,2,3-Propanetricarboxylicacid,2-hydroxy-,potassiumsalt2-Hydroxy-1,2,3-propanetricarboxylic acid tripotassium salt
ACALKA86R1NVR0HW1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium saltDTXSID8027325RefChem:933490Anhydrous, Potassium CitrateDTXCID907325212-755-5

데이터베이스 식별자

CAS
7778-49-6、866-84-2
PubChem CID
13344
DTXSID
DTXSID8027325
ChEMBL
CHEMBL1200458
ChEBI
CHEBI:64733
UNII
86R1NVR0HW
EC Number
212-755-5、231-905-0
Nikkaji
J7.148J

물성

구조 계산 물성

극성 표면적
141 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
2
무거운 원자 수
16
형식 전하
0
복잡도
211

실험 및 물리화학적 성질

Chemical ClassesMetals -> Organic Acids, Metal Salts
CosmeticsBuffering; Chelating
pH · 2건

Between 7,5 and 9,0 (5 % aqueous solution)

THE AQ SOLN IS ALKALINE TO LITMUS; PH ABOUT 8.5

FragrancesFragrance Ingredient (1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt) -> IFRA transparency List
OdorODORLESS
TasteHAS COOLING, SALINE TASTE
Density1.98 @25 °C
Color/Form · 2건

WHITE CRYSTALS, GRANULES, OR POWDER

TRANSPARENT CRYSTALS

Solubility · 3건

1 G DISSOLVES IN 0.65 ML WATER

1 G DISSOLVES VERY SLOWLY IN 2.5 ML GLYCEROL

ALMOST INSOL IN ALCOHOL

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 4건

Liquid

Liquid; Large Crystals; Dry Powder

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 96.3% (572 of 594) of all reports.

Not Classified

Aggregated GHS information provided per 594 reports by companies from 4 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 100% (14 of 14) of all reports.

Not Classified

Aggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 5건

Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt (1:?) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt (1:?) 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)

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt (1:3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt (1:3) 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)

REACH registered substance: Tripotassium citrate (EC: 212-755-5)

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt: Human health tier I assessment
Hazards SummaryPotassium salts by mouth in doses less than 2 mEq/kg are usually not toxic in patients with normal renal function; [HSDB] May cause irritation; [MSDSonline]

화학 및 산업

약리 정보

Pharmacodynamics · 1건

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 · 1건

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.

Metabolism/MetabolitesPotassium Citrate is absorbed and the citrate is metabolised to bicarbonate.
FDA Pharmacological Classification · 5건

86R1NVR0HW

POTASSIUM CITRATE ANHYDROUS

Mechanisms of Action [MoA] - Alkalinizing Activity

Established Pharmacologic Class [EPC] - Metabolic Alkalinizer

Potassium citrate anhydrous is a Metabolic Alkalinizer. The mechanism of action of potassium citrate anhydrous is as an Alkalinizing Activity.

MeSH Pharmacological Classification · 2건

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.

Absorption, Distribution and ExcretionUrinary; less than 5% unchanged.

용도 및 제조

관련 반응

21건
반응 기록 만들기
HRID 65182 반응식
HRID 65182반응물로uspto-grants-1986_09
HRID 420013 반응식
HRID 420013생성물로uspto-grants-2012_01
HRID 978329 반응식
HRID 978329생성물로uspto-grants-1987_05
HRID 991370 반응식
HRID 991370생성물로uspto-grants-2002_10
HRID 1198096 반응식
HRID 1198096용매로uspto-grants-1994_01
HRID 1248788 반응식
HRID 1248788반응물로uspto-grants-1986_12
HRID 1254976 반응식
HRID 1254976생성물로uspto-grants-2013_06
HRID 1257960 반응식
HRID 1257960반응물로uspto-grants-2013_06
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White, hygroscopic, granular powder or transparent crystals

Monohydrate: White odorless solid; [Merck Index] White odorless crystalline granules; [MSDSonline]

Other Experimental PropertiesLOSES WATER AT 180 °C

물리화학적 성질

InChI
InChI=1S/C6H8O7.K.H/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);;
InChIKey
JOSYFFAWJFRGHM-UHFFFAOYSA-N
SMILES
C(O)(C(=O)O)(CC(=O)O)CC(=O)O.[KH]
EPA
1 · 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt (7778-49-6)
FDA Requirements
121.101; LIMITATIONS: GRAS SEQUESTRANT; GRAS MISCELLANEOUS AND/OR GENERAL-PURPOSE FOOD ADDITIVE.
EPA Safer ChemicalChemical: Potassium citrate, anhydrous
Hazard Classes and Categories · 2건

Not Classified

Not Classified

안전 및 보호

Protective Action Criteria (PAC) · 3건

2.1 [mg/m3]

23 [mg/m3]

140 [mg/m3]

독성 정보

Interactions12 OF 40 HEART PT TREATED WITH POTASSIUM CITRATE SHOWED SLIGHT MALABSORPTION OF VITAMIN B12. MECHANISM OF THE DISTURBANCE APPEARED TO BE ACIDIFICATION OF CONTENTS OF THE ILEUM.
Human Toxicity ExcerptsCONGENITAL MALFORMATIONS AND SURVIVAL IN RELATION TO THE FIRST TRIMESTER USE OF SPECIFIC DRUGS AND VACCINES ARE PRESENTED.

규제 정보

FDA Requirements121.101; LIMITATIONS: GRAS SEQUESTRANT; GRAS MISCELLANEOUS AND/OR GENERAL-PURPOSE FOOD ADDITIVE.

안전 데이터

wgk
1
tsca
TSCA listed
기존화학 물질
KE-20839
Uses · 6건

Used as a food additive (sequestrant, stabilizer, and buffer), a preservative for cut flowers, and a medication (potassium supplement, diuretic, expectorant, and alkalizer); [HSDB] Used as chemical intermediate; [MSDSonline]

MEDICATION

MEDICATION (VET)

SEQUESTRANT FOOD ADDITIVE

STABILIZER, BUFFER IN FOODS

IN PRESERVATION OF CUT FLOWERS

U.S. Production · 2건

2023: 75,000 - <100,000 lb

2023: 1,000,000 - <2,500,000 lb

Consumer UsesSoil amendments (fertilizers)
Industry UsespH regulating agent
Methods of ManufacturingBY ADDING POTASSIUM BICARBONATE OR CARBONATE TO A SOLN OF CITRIC ACID UNTIL EFFERVESCENCE CEASES, FILTERING THE SOLN & EVAPORATION TO GRANULATION.
Formulations/Preparations · 3건

POTASSIUM CITRATE, NF. POWDER, NF. TABLETS, 2.3 MEQ OF K+ AND 0.8 MEQ OF C6H5O7(3-) (250 MG), 2.8 MEQ OF K+ AND 0.9 MEQ OF C6H5O7(3-) (300 MG), AND 5.6 MEQ OF K+ AND 1.8 MEQ OF C6H5O7(3-) (600 MG).

IT IS AT LEAST 99% PURE.

GRADES: TECHNICAL; CP; NF; FCC.

Household ProductsInformation on 2 consumer products that contain Potassium Citrate in the following categories is provided:
Use Classification · 6건

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

Food additives

Fragrance Ingredients

Food Additives -> ACIDITY_REGULATOR; SEQUESTRANT; STABILIZER -> JECFA Functional Classes

Food Additives -> ACIDITY_REGULATOR; SEQUESTRANT; STABILIZER -> JECFA Functional Classes

General Manufacturing Information · 4건

Other (requires additional information)

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt (1:3): ACTIVE

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt (1:?): ACTIVE

INCOMPATIBILITIES: AQUEOUS SOLUTIONS...WILL REACT WITH ACIDIC SUBSTANCES. ALKALOIDAL SALTS MAY BE PPT FROM...AQ OR HYDROALCOHOLIC SOLN. ACIDIFICATION OR ADDITION OF ALCOHOL WILL RESTORE SOLN. CALCIUM & STRONTIUM SALTS CAUSE PRECIPITATION OF CORRESPONDING CITRATES.

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