기본 정보
- 표준 SMILES
O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2]- InChIKey
QORWJWZARLRLPR-UHFFFAOYSA-H- 분자식
- Ca3(PO4)2
- 평균 분자량
- 310.18 g/mol
- 단동위원소 질량
- 309.79461316
개요
Calcium phosphate is an odorless white solid. Sinks and mixes with water. (USCG, 1999)
이름 및 식별자
- 우선 이름
- Tricalcium Phosphate
- IUPAC
- tricalcium diphosphate
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
10103-46-5、21063-37-6、7758-87-4- PubChem CID
- 24456
- DTXSID
DTXSID1049803- ChEMBL
CHEMBL2106566- ChEBI
CHEBI:9679- UNII
- K4C08XP666
- EC Number
- 231-840-8、233-283-6
물성
구조 계산 물성
- 극성 표면적
- 173 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 36.8
실험 및 물리화학적 성질
Chemical Classes
Metals -> Phosphates, Metallic Salts
Metals -> Phosphates, Metallic Salts
Cosmetics
Cosmetic ingredients (Calcium Phosphate) -> CIR (Cosmetic Ingredient Review)
Cosmetic ingredients (Tricalcium Phosphate) -> CIR (Cosmetic Ingredient Review)
Opacifying; Bulking; Anticaking; Viscosity controlling; Oral care; Buffering; Abrasive; Antiplaque
Pesticides
Rodenticides
Active substance -> EU Pesticides database: Not approved
Rodenticides
Active substance -> EU Pesticides database: Not approved
Food Additives
Foods -> FDA Regulatory Status of Color Additives
ANTICAKING AGENT OR FREE-FLOW AGENT, DRYING AGENT, EMULSIFIER OR EMULSIFIER SALT, FLAVORING AGENT OR ADJUVANT, FORMULATION AID, HUMECTANT, LEAVENING AGENT, NUTRIENT SUPPLEMENT, PH CONTROL AGENT, TEXTURIZER -> FDA Substance added to food
Density
2 to 3 at 68 °F (USCG, 1999)
3.14 g/cu cm
2.5 @ 20°C
Color/Form
White amorphous powder
White, crystalline powder
Two crystalline modifications are known, the high temperature alpha- and the low-temperature beta-form, transition temperature 110 °C.
Rhombohedral crystals /Whitlockite/
Solubility
7.7g/L
Practically insoluble in water; insoluble in ethanol, soluble in dilute hydrochloric and nitric acid
Practically insol in alcohol and acetic acid; sol in dilute hydrochloric acid, nitric acid
Solubility in cold water: 2 mg/100 cc
2.5 mg/100 g water at 25 °C
Melting Point
>450
1670 °C
Food Contact Substances
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 95.7% (529 of 553) of all reports.
Not Classified
Aggregated GHS information provided per 553 reports by companies from 6 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 75% (27 of 36) of all reports.
Danger
H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
유해성 정보
Regulatory Information
Chemical: Phosphoric acid, calcium salt (2:3)
Chemical: Phosphoric acid, calcium salt
Phosphoric acid, calcium salt (2:3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, calcium salt (2:3) 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)
Phosphoric acid, calcium salt (1:?) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, calcium 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)
2004/129/EC
2007/442
Other Safety Information
IMAP assessments - Phosphoric acid, calcium salt: Human health tier I assessment
IMAP assessments - Phosphoric acid, calcium salt (2:3): Human health tier I assessment
Health Hazards
Inhalation of MCP or DCP may cause irritation of upper respiratory tract; prolonged inhalation of concentrated pyrophosphate may cause a deposit of TCP in the lungs. Ingestion of large quantities of any form of calcium phosphate may cause nausea, vomiting, cramps, and diarrhea; MCP may also be corrosive to membranes of mouth, throat, and gastrointestinal tract. Local irritation of the eyes may result from contact with any of these phosphates; prolonged or repeated exposure to MCP may lead to chronic conjunctivitis. Contact with skin by MCP may cause local irritation or chronic dermatitis; prolonged or repeated contact with concentrated aqueous slurries of DCP may cause local irritation. (USCG, 1999)
Hazards Summary
Ingestion of calcium salts may cause gastrointestinal irritation; Intravenous injection may cause hypotension, bradycardia, and cardiac arrest; [HSDB] May cause skin, eye, and respiratory tract irritation; [CAMEO] May cause irritation; [MSDSonline]
A skin and eye irritant; [CHRIS] See Calcium phosphate, tribasic.
FDA Requirements
Substances classified as stabilizers, when migrating from food-packaging material shall incl ... calcium phosphate.
Calcium phosphate (mono-, di-, and tribasic) used as a multiple purpose GRAS food substance in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, tribasic) used as a dietary supplement in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a nutrient in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
For more FDA Requirements (Complete) data for TRICALCIUM PHOSPHATE (6 total), please visit the HSDB record page.
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
WHO; Diseases Caused by Phosphorus and Its Toxic Compounds; Early Detection of Occupational Diseases pg 53-62 (1986). Review of diseases and health related effects resulting from exposure to phosphorus or phosphorus cmpd.
FIFRA Requirements
Residues of calcium phosphate are exempted from the requirement of a tolerance when used as a solid diluent or 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 Categories
Not Classified
Eye Dam. 1 (25%)
안전 및 보호
Disposal Methods
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
Residues of calcium phosphate are exempted from the requirement of a tolerance when used as a solid diluent or 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.
Residues of calcium phosphate are exempted from the requirement of a tolerance when used as a solid diluent or 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. /Calcium phosphate/
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
독성 정보
Toxicity Summary
The CIR Expert Panel concluded that the following 31 ingredients are safe in the present practices of use and concentration in cosmetics as described in this safety assessment, when formulated to be non-irritating...Calcium Phosphate...
Safe for use in cosmetics, with qualifications
The CIR Expert Panel concluded that the following 31 ingredients are safe in the present practices of use and concentration in cosmetics as described in this safety assessment, when formulated to be non-irritating...Tricalcium Phosphate...
Safe for use in cosmetics, with qualifications
IDENTIFICATION AND USE: White amorphous, or crystaline powder. It is odorless and tasteless. It is practically insoluble in alcohol, and acetic acid, and soluble in dilute hydrochloric acid, and nitric acid. Slightly soluble in water. It is used in the manufacture of fertilizers, phosphate compounds, manufacture of milk glass, polishing and dental powders, porcelains, pottery, enameling; clarifying sugar syrups; in animal feeds; as noncaking agent; in textile industry. It is used as a stabilizer in plastics; in meat tenderizers; in food as a buffer and used in medical applications as a calcium replenisher. It veterinary medicine it is used as a dietary supplement and an antacid. It is used in the manufacture of luminescent materials. HUMAN EXPOSURE AND TOXICITY: Tricalcium phosphate is not irritating and toxic doses by ingestion would have to be more than 2 g/kg. Skin sensitization is unusual. Aspiration or inhalation could cause chemical pneumonitis. Implantation of material will cause foreign body reaction. Tricalcium phosphate is contraindicated in treatment of hypocalcemia with hyperphosphatemia which may occur in hypoparathyroidism and renal failure. ANIMAL STUDIES: Tricalcium phosphate exhibited no teratogenic effect in developing chicken embryos.
Natural Pollution Sources
Occurs in nature as the minerals: oxydapatit, voelicherite, whitlockite.
USUALLY OBTAINED FROM ANIMAL BONES WHICH CONTAIN ABOUT 80% OF TRIBASIC CALCIUM PHOSPHATE. /TRIBASIC CALCIUM PHOSPHATE, NATIONAL FORMULARY/
Human Toxicity Excerpts
... NOT IRRITATING & TOXIC DOSES BY INGESTION WOULD HAVE TO BE IN EXCESS OF 2 G/KG. ... SKIN SENSITIZATION IS UNUSUAL. ASPIRATION OR INHALATION ... COULD CAUSE CHEM PNEUMONITIS. IMPLANTATION ... WILL CAUSE FOREIGN BODY REACTION. /CALCIUM PHOSPHATE/
RAIS Toxicity Values
48.6
PPRTV Archive
8
PPRTV Current
Acceptable Daily Intakes
FAO/WHO EXPERT COMMITTEE ON FOOD ADDITIVES...RECOMMENDED.../LEVELS/ FOR TOTAL DIETARY PHOSPHORUS...UNCONDITIONAL ACCEPTANCE LEVEL /OF LESS THAN 30 MG/KG BODY WT/ IS CONSIDERED SAFE IN ANY TYPE OF DIET...CONDITIONAL ACCEPTANCE LEVEL /OF 30-70 MG/KG BODY WT/ IS ACCEPTABLE ONLY WHEN DIETARY CALCIUM LEVEL IS HIGH /PHOSPHATES/
EPA Provisional Peer-Reviewed Toxicity Values
Tricalcium phosphate
8 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2021
규제 정보
FDA Requirements
Substances classified as stabilizers, when migrating from food-packaging material shall incl ... calcium phosphate.
Calcium phosphate (mono-, di-, and tribasic) used as a multiple purpose GRAS food substance in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, tribasic) used as a dietary supplement in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
Calcium phosphate (mono-, di-, and tribasic) used as a nutrient in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/
For more FDA Requirements (Complete) data for TRICALCIUM PHOSPHATE (6 total), please visit the HSDB record page.
FIFRA Requirements
Residues of calcium phosphate are exempted from the requirement of a tolerance when used as a solid diluent or 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.
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Bionecessity
Phosphate is a major intracellular anion which participates in providing energy for metabolism of substances and contributes to important metabolic and enzymatic reactions in almost all organs and tissues. Phosphate exerts a modifying influence on calcium concentrations, a buffering effect on acid-base equilibrium, and has a major role in the renal excretion of hydrogen ions. /Phosphate/
Pharmacodynamics
Calcium phosphate reacts with acid in the stomach to raise the pH. In toothpaste it provides a source of calcium and phosphate ions to support remineralization of the teeth. As a supplement it provides a source of calcium and phospate, both of which are important ions in bone homeostasis.
Mechanism of Action
The phosphate ions in calcium phosphate likely react with hydrochloric acid in the stomach to neutralize the pH. In toothpaste and in systemic circulation, calcium phosphate provides a source of calcium and phosphate ions to support remineralization of the teeth and bone homeostasis respectively. The increase in plasma calcium 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.
Absorption, Distribution and Excretion
/Ortho/ phosphate is absorbed from, and to a limited extent secreted into, the gastrointestinal tract. Transport of phosphate from the gut lumen is an active, energy-dependent process that is modified by several factors. ... Vitamin D stimulates phosphate absorption, an effect reported to precede its action on calcium ion transport. In adults, about two thirds of the ingested phosphate is absorbed, and that which is absorbed is almost entirely excreted into the urine. In growing children, phosphate balance is positive. Concentrations of phosphate in plasma are higher in children than in adults. This "hyperphosphatemia" decreases the affinity of hemoglobin for oxygen and is hypothesized to explain the physiological "anemia" of childhood. /Phosphates/
용도 및 제조
Uses
CIR ingredient: Calcium Phosphate
CIR ingredient: Tricalcium Phosphate
Found in the minerals oxydapatit, voelicherite, and whitlockite; [Merck Index] Used to make fertilizers, phosphoric acid, phosphorus compounds, milk-glass, polishing and dental powders, porcelains, pottery, and luminescent materials; Also used in enamels, white pigments for ceramics, meat tenderizers, food buffers and flow conditioners, and as a non-caking agent, a mordant in dyeing, a stabilizer for plastics, a clarifying agent for sugar syrups, a polishing agent, a calcium supplement, and a veterinary antacid; [HSDB]
Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
Ceramics making [Category: Hobbies]
Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Used in fertilizers, food additives, and animal feeds; [IUCLID] Also used in glass manufacture; [EPA OHM/TADS]
U.S. Exports
(1972) 1.35X10+10 GRAMS (CRUDE)
(1976) 1.36X10+10 G (CRUDE)
U.S. Production
2023: 400,000 - <550,000 lb
2023: 381,191 lb
(1972) 4.22X10+11 GRAMS (CRUDE)
(1976) 2.86X10+11 GRAMS (CRUDE)
Consumption Patterns
ESSENTIALLY 100% OF TRICALCIUM PHOSPHATE IS USED IN THE CRUDE FORM (DEFLUORINATED PHOSPHATE ROCK) AS A MINERAL SUPPLEMENT IN LIVESTOCK & POULTRY FEEDS; SMALL AMOUNTS OF REFINED TRICALCIUM PHOSPHATE ARE USED AS FOOD ADDITIVES TO CONTROL THE PH IN DOUGHS & LARD, & AS A YEAST NUTRIENT IN FLOUR (1972)
Consumer Uses
Corrosion inhibitor
Intermediate
Industry Uses
Lubricating agent
Filler
Methods of Manufacturing
HIGH TEMPERATURE REACTION OF PHOSPHATE ROCK, SILICA, WET-PROCESS PHOSPHORIC ACID, & SODA ASH (FEED-GRADE); REACTION OF FURNACE PHOSPHORIC ACID & CALCIUM OXIDE OR CALCIUM NITRATE (FOOD-GRADE)
... /ANIMAL/ BONES ARE CALCINED UNTIL WHITE, THEN GROUND & DIGESTED WITH HYDROCHLORIC ACID /OR SULFURIC ACID/... AFTER FILTRATION, SOLN IS TREATED EITHER WITH AMMONIA OR MORE GENERALLY WITH CALCIUM HYDROXIDE WHEREBY CALCIUM PHOSPHATE IS PPT. /TRIBASIC CALCIUM PHOSPHATE NF/
By interaction of solutions of calcium chloride & sodium triphosphate with excess of ammonia.
Commercial preparation from phosphate rock.
In production, hydroxyapitite, Ca5(PO4)3OH. is formed by the complete neutralization of phosphoric acid with slaked lime and subsequent filtration, drying, and grinding. The Ca/P ratio depends on the process conditions. Pure Ca3(PO4)2, can be obtained from hydroxyapitite by calcination above 900 °C.
Formulations/Preparations
Grade: it is about 96% pure, usually containing an excess of calcium oxide.
Grades: granular; technical; chemically pure: a grade designation signifying a minimum of impurities, but not 100% purity; National Formulary; pure precipitated; Food Chemicals Codex.
Use Classification
Food additives
Fragrance Ingredients
Food Additives -> ACIDITY_REGULATOR; ANTICAKING_AGENT -> JECFA Functional Classes
Food Additives -> ACIDITY_REGULATOR; ANTICAKING_AGENT -> JECFA Functional Classes
Food Additives -> ACIDITY_REGULATOR; ANTICAKING_AGENT -> JECFA Functional Classes
Cosmetics -> Opacifying; Bulking; Anticaking; Viscosity controlling; Oral care; Buffering; Abrasive; Antiplaque
General Manufacturing Information
Paint and Coating Manufacturing
Paper Manufacturing
Phosphoric acid, calcium salt (2:3): ACTIVE
Phosphoric acid, calcium salt (1:?): ACTIVE
... VARIABLE MIXT OF CALCIUM PHOSPHATES ... APPROX COMPOSITION 10CAO.3P2O5.H2O (1004.64). IT CONTAINS AN AMT OF PHOSPHATE (PO4) EQUIVALENT TO NOT LESS THAN 90.0% OF TRIBASIC CALCIUM PHOSPHATE ... CALCULATED ON THE IGNITED BASIS. /TRIBASIC CALCIUM PHOSPHATE, NATIONAL FORMULARY/
... CAN INACTIVATE METALLIC IONS, WHICH ARE CAPABLE OF INTERFERING WITH NECESSARY FOOD-PROCESSING REACTIONS ... /INACTIVATION IS/ EITHER BY PPTN & REMOVING THEM FROM INTERFERENCE WITH DESIRED FOOD-PROCESSING REACTIONS OR BY COMPLEXING & MAINTAINING THEM IN SOL, BOUND STATE. /PHOSPHATES/
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