柠檬酸钙四水合物

Tricalcium Citrate

HCID 13136CAS 5785-44-4

基本信息

标准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
分子式
C12H10Ca3O14
平均分子量
498.4 g/mol
单同位素质量
497.89482794

概述

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-).

名称与标识

首选名称
Tricalcium Citrate
IUPAC
tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate)
中文名
柠檬酸钙四水合物
英文名
Calcium citrate tetrahydrate
分子式
C12H18Ca3O18
分子量
570.49

名称与别名

Calcium citrate813-94-5Tricalcium dicitrateAcicontralTRICALCIUM CITRATECalcitrateCitricalCalcium citrate, tribasicCitracalTribasic calcium citrateCalcimaxCitric acid, calcium salt (2:3)
展开更多名称
枸橼酸钙四水柠檬酸钙柠檬酸 钙盐柠檬酸钙四水物枸橼酸钙四水物柠檬酸钙四水和物柠檬酸钙四水合物柠檬酸钙(四水)2羟基丙三羧酸钙柠檬酸钙(可定制)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)

数据库标识

CAS
5785-44-4、7693-13-2、813-94-5
PubChem CID
13136
DTXSID
DTXSID7061148
ChEMBL
CHEMBL2106123
ChEBI
CHEBI:190513
UNII
86117BWO7P
EC Number
212-391-7

性质

结构计算性质

极性表面积
281 Ų
氢键供体
2
氢键受体
14
可旋转键
4
重原子
29

实验与物化性质

Chemical Classes · 2 条

Other Uses -> Food Additives

Other Uses -> Food Additives

Cosmetics · 2 条

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

Buffering

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

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 · 3 条

Fine white powder

Tetrahydrate: White odorless solid; [HSDB]

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

Other Experimental Properties · 2 条

WHITE NEEDLES /TETRAHYDRATE/

White powder /Tetrahydrate/

物理化学性质

熔点
300 °C · >300°C
储存条件
-20 °C · -20°C Freezer
溶解度
0.1 M · 0.1 M HCl: 0.01 M at 20 °C, clear, colorless
形态
Liquid
颜色
Clear
气味 (Odor)
Odorless

安全与法规

GHS分类

GHS Classification · 3 条

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.

危害信息

Regulatory Information · 4 条

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

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

Status: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11241

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

Other Safety Information · 2 条

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 · 2 条

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 · 4 条

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.

Special ReportsOptimal 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

安全与防护

Disposal Methods · 2 条

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 · 1 条

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.

毒理信息

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

法规信息

FDA Requirements · 4 条

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 · 1 条

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.

安全数据

wgk
1
tsca
Yes
存储类别
11 - Combustible Solids
安全说明
22-24/25
海关编码
29181500

化学与工业

药理信息

ATC Code · 2 条

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 · 1 条

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 · 1 条

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 · 2 条

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.

用途与制造

Uses · 6 条

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 · 2 条

(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 · 4 条

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 · 2 条

Grades: Reagent, technical, FCC

Grades: reagent; technical; FCC. /Tetrahydrate/

应用领域

用途用作分析试剂,并用于柠檬盐类的制备

试剂价格

30033827 · 250G
柠檬酸钙,四水calcium citrate tetrahydrate;calcium citrate tribasic;citric acid calcium salt;tricalcium dicitrate — 43元
30033826 · 100G
柠檬酸钙,四水calcium citrate tetrahydrate;calcium citrate tribasic;citric acid calcium salt;tricalcium dicitrate — 21元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
天津市光复科技发展有限公司022-85689490 13132141716 · [email protected]

相关反应

29 条

关联笔记

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