홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

시트르산칼슘(구연산칼슘)

Tricalcium Citrate

HCID 13136
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
5785-44-4
표준 SMILES
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2]
InChIKey
FNAQSUUGMSOBHW-UHFFFAOYSA-H
분자식
C12H10Ca3O14
평균 분자량
498.4 g/mol
단동위원소 질량
497.8948275

개요

Calcium citrate is an organic calcium salt composed of calcium cations and citrate anions in a 3:2 ratio. It has a role as a flavouring agent, a nutraceutical, a food additive and a food preservative. It contains a citrate(3-).

이름 및 식별자

우선 이름
Tricalcium Citrate
IUPAC
tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate)
현지명
시트르산칼슘(구연산칼슘)
영어명
Calcium citrate tetrahydrate
분자식
C12H18Ca3O18
분자량
570.49

이름 및 동의어

Calcium citrate813-94-5Tricalcium dicitrateAcicontralTRICALCIUM CITRATECalcitrateCitracalCitricalCalcium citrate, tribasicTribasic calcium citrateCalcimaxCitric acid, calcium salt (2:3)
이름 더 보기
시트르산칼슘시트르산칼슘(구연산칼슘)MAGNESIA 87231MAGGRAN(R) CCICalcium CitratesTricalcium dicitCALCIUM(II) CITRATECALCIUM CITRIC ACIDCalcium Citrate 21 %E333 Calcium CitrateCitric acid calcium salt
INS NO.333(III)tricalcium citrate tetrahydrateINS-333(III)Calcium (as citrate)1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3)Calcium 2-hydroxy-1,2,3-propanetricarboxylate (3:2)86117BWO7PE-333(III)

데이터베이스 식별자

CAS
5785-44-4、7693-13-2、813-94-5

물성

구조 계산 물성

극성 표면적
281 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
14
회전 가능 결합 수
4
무거운 원자 수
29
형식 전하
0
복잡도
211

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Uses -> Food Additives

Other Uses -> Food Additives

Cosmetics · 2건

Cosmetic ingredients (Calcium Citrate) -> CIR (Cosmetic Ingredient Review)

Buffering

Food AdditivesFIRMING AGENT, NUTRIENT SUPPLEMENT, PH CONTROL AGENT, SEQUESTRANT -> FDA Substance added to food
Solubility · 4건

White powder, odorless. Insol in alcohol. Loses most of its water @ 100 °C and all @ 120 °C /Tetrahydrate/

Soluble in 1050 parts cold water; somewhat more sol in hot water; insoluble in alcohol. /Tetrahydate/

0.085 G & 0.096 G/100 CC WATER @ 18 °C & 23 °C

Odorless; loses most of its water @ 100 °C and all @ 120 °C; sol in 1050 parts cold water; somewhat more in hot water; insol in alc /Tetrahydrate/

Physical Description · 3건

Fine white powder

Tetrahydrate: White odorless solid; [HSDB]

Tetrahydrate: White odorless solid; [HSDB] White odorless crystalline powder; [MSDSonline]

Other Experimental Properties · 2건

WHITE NEEDLES /TETRAHYDRATE/

White powder /Tetrahydrate/

물리화학적 성질

안전 및 규제

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

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99% (97 of 98) of all reports.

Not Classified

Aggregated GHS information provided per 98 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3)

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

REACH registered substance: Tricalcium dicitrate (EC: 212-391-7)

Calcium citrate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2건

IMAP assessments - 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3): Human health tier I assessment

IMAP assessments - 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt: Human health tier I assessment

Hazards Summary · 2건

Generally regarded as safe (GRAS) for use in foods; [HSDB] See Tricalcium citrate. See Calcium.

Used in food and generally recognized as safe (GRAS); [HSDB] May cause irritation; Poses little or no danger to human health; [MSDSonline] See Calcium citrate. See Calcium.

FDA Requirements · 4건

Substance added directly to human food affirmed as generally recognized as safe (GRAS).

Calcium citrate used as a general purpose food additive is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

Calcium citrate used as a nutrient and/or dietary supplement is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

Calcium citrate used as a sequestrant is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

화학 및 산업

약리 정보

ATC Code · 2건

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

Protein BindingAbout 46.4% of calcium is bound to plasma proteins.
PharmacodynamicsIncreases plasma calcium levels leading to a decrease in calcium flux and increase in calcium deposition into bone
Mechanism of Action · 1건

Calcium citrate increases plasma calcium levels. This reduces calcium flux from osteocyte activity by reducing the secretion of parathyroid hormone (PTH). Calcium does this by stimulating a G-protein coupled calcium receptor on the surface of parathyroid cells. The reduction in calcium flux increases the amount of calcium deposited in bone resulting in an increase in bone mineral density. The reduction in PTH secretion also reduces the amount of vitamin D metabolized to its active form, calcidiol. Since calcidiol increases the expression of calcium dependent ATPases and transient receptor potential cation channel subfamily V member 6 (TRPV6) both of which are involved in calcium uptake from the gut, a reduction in calcidiol results in less calcium absorption. Additionally, TRPV5, the channel responsible for calcium reabsorption in the kidney, is downregulated when PTH secretion is reduced thus increasing calcium excretion via the kidneys. Another hormone, calitonin, is likely involved in the reduction of bone resorption during periods of high plasma calcium.

MeSH Pharmacological Classification · 1건

Substances used in the processing or storage of foods or animal feed including ANTIOXIDANTS; FOOD PRESERVATIVES; FOOD COLORING AGENTS; FLAVORING AGENTS; ANTI-INFECTIVE AGENTS; EXCIPIENTS and other similarly used substances. Many of the same substances are used as PHARMACEUTIC AIDS.

Absorption, Distribution and Excretion · 2건

The percentage of calcium absorbed varies inversely with intake. Tmax of about 3.5-5h varying with formulation.

Cleared via the kidneys but largely reabsorbed (98-99%) under normal conditions.

관련 반응

29건
반응 기록 만들기
HRID 248212 반응식
HRID 248212생성물로uspto-grants-1993_05
HRID 256506 반응식
HRID 256506생성물로uspto-grants-1993_11
HRID 411956 반응식
HRID 411956생성물로uspto-grants-2003_05
HRID 434187 반응식
HRID 434187생성물로uspto-grants-2003_12
HRID 454790 반응식
HRID 454790생성물로uspto-grants-2013_07
HRID 482673 반응식
HRID 482673생성물로uspto-grants-1986_03
HRID 556227 반응식
HRID 556227반응물로uspto-grants-2011_11
HRID 731500 반응식
HRID 731500반응물로uspto-grants-2009_09
1 / 4 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
PubChem CID
13136
DTXSID
DTXSID7061148
ChEMBL
CHEMBL2106123
ChEBI
CHEBI:190513
UNII
86117BWO7P
EC Number
212-391-7
녹는점
300 °C · >300°C
저장 조건
-20 °C · -20°C Freezer
용해도
0.1 M · 0.1 M HCl: 20°C에서 0.01°M, 투명, 무색
물리적 상태
액체
색상
투명한
냄새
냄새 없는
수소이온지수(pH)
5 · 5-6 (20°C, 25g/L in H2O, slurry)
수용성
물과 염산에 용해됩니다.
Merck
13 · 13,1662
BRN
3924520 · 3924520
InChI
1S/2C6H8O7.3Ca.4H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;4*1H2/q;;3*+2;;;;/p-6
InChIKey
LNIZKKFWMDARJV-UHFFFAOYSA-H
SMILES
O.O.O.O.OC1(CC(=O)O[Ca]OC(=O)C1)C(=O)O[Ca]OC(=O)C2(O)CC(=O)O[Ca]OC(=O)C2
LogP
-1.721 · -1.721 (est)
EPA
Calcium citrate tetrahydrate (5785-44-4)

화학적 성질

Calcium citrate tetrahydrate is white powder

Special Reports
Optimal Calcium Uptake. Current Bibliographies in Medicine 94-4. Public Services Division/National Library of Medicine. 775 citations from January, 1990-April, 1994. Available from: http://www.nlm.nih.gov/pubs/cbm/calcium.html
EPA Safer ChemicalChemical: Calcium citrate
FIFRA Requirements · 1건

Residues of calcium citrate are exempted from the requirement of a tolerance when used as a solid diluent, carrier in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.

Hazard Classes and CategoriesNot Classified

안전 및 보호

Disposal Methods · 2건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Allowable Tolerances · 1건

Residues of calcium citrate are exempted from the requirement of a tolerance when used as a solid diluent, carrier in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.

독성 정보

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

규제 정보

FDA Requirements · 4건

Substance added directly to human food affirmed as generally recognized as safe (GRAS).

Calcium citrate used as a general purpose food additive is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

Calcium citrate used as a nutrient and/or dietary supplement is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

Calcium citrate used as a sequestrant is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

FIFRA Requirements · 1건

Residues of calcium citrate are exempted from the requirement of a tolerance when used as a solid diluent, carrier in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.

안전 데이터

wgk
1
tsca
Yes
HS 번호
29181500
safety_code
22-24/25
스토리지 클래스
11 - Combustible Solids

용도 및 제조

Uses · 6건

CIR ingredient: Calcium Citrate

Used as emulsifier, sequestering agent, and acidity regulator in foods; Also used to make citric acid, remove sulfur compounds from waste gases, and to treat scours in mammals; [HSDB]

Used to make citric acid and other citrates and to improve the baking properties of flour; Also used as dietary supplement, food additive (sequestrant, buffer, and firming agent), and medication; [HSDB]

DIETARY SUPPLEMENT FOOD ADDITIVE /TETRAHYDRATE/

Buffer and firming agent in foods /Tetrahydrate/

CHEM INT (CAPTIVELY) FOR CITRIC ACID; EMULSIFIER & SEQUESTERING AGENT IN FOODS

U.S. Imports(1972) 1.82X10+5 GRAMS
U.S. Production · 2건

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1976) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Consumption PatternsEXCLUDING CAPTIVE USE AS A CHEM INT FOR CITRIC ACID, APPROX 100% AS A FOOD ADDITIVE (1977)
Methods of Manufacturing · 4건

MOLD FERMENTATION OF SUGAR SOLUTIONS (OR CANDIDA YEAST FERMENTATION OF NORMAL PARAFFINS) FOLLOWED BY REACTION OF THE RESULTING CITRIC ACID WITH HIGH PURITY CALCIUM HYDROXIDE IN WATER

BY-PRODUCT IN MFR OF CITRIC ACID. /TETRAHYDRATE/

... from citrus fruit: Cole, US patent 2,389,766 (1945 to California Fruit Growers Exchange). Review: Rudy, Pharmazie 4: 393 (1949).

A BY-PRODUCT IN THE MFR OF CITRIC ACID. /TETRAHYDRATE/

Formulations/Preparations · 2건

Grades: Reagent, technical, FCC

Grades: reagent; technical; FCC. /Tetrahydrate/

Use Classification · 5건

EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Food additives

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

Cosmetics -> Buffering

General Manufacturing Information · 3건

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

REPORTED USES: ARTIFICIALLY SWEETENED JELLIES, PRESERVES & JAMS CAN...CONTAIN CALCIUM CITRATE .../IT/ IS PERMITTED FOR FIRMING PEPPERS, POTATOES, TOMATOES & LIMA BEANS DURING PROCESSING.

Available commercially as the tetrahydrate.

응용 분야

용도Calcium citrate tetrahydrate is mainly used for Calcium supplements.

일반 설명Thermal decomposition of calcium citrate tetrahydrate in dynamic air or dry nitrogen has been investigated by by TG, DTA and DSC.