Tricalcium Citrate (HCID 13136)

Overview

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-).

Names & identifiers

Preferred name: Tricalcium Citrate
IUPAC: tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate)
English name: Calcium citrate tetrahydrate
Molecular formula: C12H18Ca3O18
Molecular weight: 570.49

Names & synonyms

Calcium citrate813-94-5Tricalcium dicitrateAcicontralTRICALCIUM CITRATECalcitrateCitricalCalcium citrate, tribasicCitracalTribasic calcium citrateCalcimaxCitric acid, calcium salt (2:3)

Show more names

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)

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 281 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 14
Rotatable bonds: 4
Heavy atoms: 29
Formal charge: 0
Complexity: 211

Experimental & physicochemical properties

Chemical Classes · 2 items

Other Uses -> Food Additives

Cosmetics · 2 items

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 items

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 items

Fine white powder

Tetrahydrate: White odorless solid; [HSDB]

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

Other Experimental Properties · 2 items

WHITE NEEDLES /TETRAHYDRATE/

White powder /Tetrahydrate/

Physicochemical properties

Melting point: 300 °C · >300°C
storage temp.: -20 °C · -20°C Freezer
solubility: 0.1 M · 0.1 M HCl: 0.01 M at 20 °C, clear, colorless
form: Liquid
color: Clear
Odor: Odorless
PH: 5 · 5-6 (20°C, 25g/L in H2O, slurry)
Water Solubility: Soluble in water and hydrochloric acid.
λmax: 260 nm · λ: 260 nm Amax: 0.04λ: 280 nm Amax: 0.03
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)
CAS DataBase Reference: 5785 · 5785-44-4(CAS DataBase Reference)
FDA UNII: 29 U2X85 · MLM29U2X85
EPA Substance Registry System: Calcium citrate tetrahydrate (5785-44-4)
UNSPSC Code: 12352107 · 12352107
NACRES: 25 · NA.25
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 1 · 1
TSCA: Yes
HS Code: 29181500 · 29181500
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 3 items

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.

Hazard information

Regulatory Information · 4 items

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 items

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 items

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 items

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

Safety & protection

Disposal Methods · 2 items

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 item

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.

Toxicology

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

Regulatory information

FDA Requirements · 4 items

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 item

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.

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 1
tsca: Yes
hs_code: 29181500
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Pharmacology

ATC Code · 2 items

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 item

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 item

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 items

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.

Uses & manufacturing

Uses · 6 items

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 items

(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 items

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 items

Grades: Reagent, technical, FCC

Grades: reagent; technical; FCC. /Tetrahydrate/

Applications · 4 items

UsesCalcium citrate tetrahydrate is mainly used for Calcium supplements.

UsesIn foods as calcium fortifier; as anticaking agent in dry mixes.

UsesCalcium citrate tetrahydrate may be used as raw material in the preparation of nanoparticle with the nominal composition Ca0.8 Ba0.2 Ti03 :Pr3+, via sol-gel process. It may be employed as carbon source in a simple and effective carbonization method to prepare porous carbon without any activation process. It is suitable for use in the preparation of bovine serum albumin (BSA) nanoparticles.

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