Dicalciumpyrophosphat
Calcium pyrophosphate (Ca2P2O7)
Grundinformationen
- CAS
10086-45-0- Standard-SMILES
O=P([O-])([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2]- InChIKey
JUNWLZAGQLJVLR-UHFFFAOYSA-J- Summenformel
- Ca2P2O7
- Durchschnittliche Molmasse
- 254,1 g/mol
- Monoisotopische Masse
- 253,837108
Überblick
Calcium diphosphate is a calcium phosphate. It contains a diphosphate(4-).
Namen und Bezeichner
- Bevorzugter Name
- Calcium pyrophosphate (Ca2P2O7)
- IUPAC
- dicalcium;phosphonato phosphate
- Lokaler Name
- Dicalciumpyrophosphat
- Englischer Name
- CALCIUM PYROPHOSPHATE
- Summenformel
- Ca2O7P2
- Molmasse
- 254.1
Namen und Synonyme
CALCIUM PYROPHOSPHATE7790-76-3Dicalcium pyrophosphateDiphosphoric acid, calcium saltCalcium pyrophosphate (Ca2P2O7)Diphosphoric acid, calcium salt (1:2)Calcium phosphate (Ca2P2O7)Pyrophosphoric acid, calcium salt (1:2)Diphosphate, CalciumPyrophosphate, CalciumX69NU20D19Pyrophosphate Dihydrate, Calcium
Weitere Namen anzeigen
CALCIUM DIPHOSPHATEDICALCIUMDIPHOSPHATECalcium pyrophosphatCALCIUM PHOSPHATE (PYRO)calciumphosphate(ca2p2o7)Calcium Pyrophosphate (98%)Diphosphoricacid,calciumsaltCalcium phosphate (pyro) min
CHEBI:32598DTXSID50872512RefChem:122901Monohydrate Calcium PyrophosphateDTXCID40820163Pyrophosphate, Monohydrate Calcium232-221-5A7X6BBX98K
Datenbank-Bezeichner
- CAS
10086-45-0、7790-76-3- PubChem CID
- 24632
- DTXSID
DTXSID50872512- ChEBI
CHEBI:32598- UNII
- X69NU20D19
- EC Number
- 232-221-5
- Nikkaji
- J96.067E
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 136 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 124
Experimentelle und physikochemische Eigenschaften
Chemical ClassesMetals -> Phosphates, Metallic Salts
Cosmetics
Cosmetic ingredients (Calcium Pyrophosphate) -> CIR (Cosmetic Ingredient Review)
Abrasive
pHBetween 5,5 and 7,0 (10 % suspension in water)
Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food
Density3.09
Color/Form
Polymorphous crystals or powder
White powder
Solubility
Insoluble in water. Soluble in dilute hydrochloric and nitric acids
Sol in dil hydrochloric and nitric acids; practically insol in water
Dilute acid; insoluble in water
DecompositionWHEN HEATED TO DECOMP, CAN EMIT HIGHLY TOXIC FUMES OF /PHOSPHORUS OXIDES/. /PHOSPHATES/
Melting Point1353 °C
Refractive IndexINDEX OF REFRACTION: 1.585, 1.604
Physical Description
Dry Powder
A fine, white, odourless powder
Crystals or powder; Insoluble in water; [Merck Index] White powder; Insoluble in water; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 1230 °C · 1230 °C
- Dichte
- 3.09 g/mL · 3.09 g/mL at 25 °C(lit.)
- Löslichkeit
- 2 O: · H2O: insoluble(lit.)
- Aggregatzustand
- Powder
- Wichte
- 3.09 · 3.09
- Farbe
- White
- Geruch (Odor)
- 100 % · at 100.00%. odorless
- Wasserlöslichkeit
- Soluble in hydrochloric acid and nitric acid. Insoluble in water.
- Kosmetik-Inhaltsstoffe Funktionen
- ABRASIVEORAL CARELIGHT STABILIZER
- InChI
- 1S/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
- InChIKey
- JUNWLZAGQLJVLR-UHFFFAOYSA-J
- SMILES
- [Ca++].[Ca++].[O-]P([O-])(=O)OP([O-])([O-])=O
- LogP
- -3.42 · -3.420 (est)
- CAS Datenbank
- 7790 · 7790-76-3(CAS DataBase Reference)
- EPA chemische Informationen
- Diphosphoric acid, calcium salt (1:2) (7790-76-3)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 20.4% (11 of 54) of reports.
Warning
H315 (79.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Diphosphoric acid, calcium salt (1:2)
Diphosphoric acid, calcium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Diphosphoric acid, calcium salt (1:2) 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: Dicalcium pyrophosphate (EC: 232-221-5)
Diphosphoric acid, calcium salt (1:2): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Diphosphoric acid, calcium salt (1:2): Human health tier I assessment
Hazards SummaryMay cause irritation; [MSDSonline] See Calcium.
FDA Requirements
Calcium pyrophosphate used as a nutrient is generally recognized as safe when used in accordance with good manufacturing practice.
Calcium pyrophosphate used as a nutrient and/or dietary supplement is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
Hazard Classes and CategoriesSkin Irrit. 2 (79.6%)
Sicherheit und Schutzausrüstung
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.
Toxikologische Informationen
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 Pyrophosphate...
Safe for use in cosmetics, with qualifications
RAIS Toxicity Values
48.6
PPRTV Archive
1.95
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
Calcium pyrophosphate
8 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2021
Regulatorische Informationen
FDA Requirements
Calcium pyrophosphate used as a nutrient is generally recognized as safe when used in accordance with good manufacturing practice.
Calcium pyrophosphate used as a nutrient and/or dietary supplement is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 28353100
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Giftige Stoffe Daten
- 7790-76-3(Hazardous Substances Data)
Chemie und Industrie
Verwendung und Herstellung
Uses
CIR ingredient: Calcium Pyrophosphate
Used as a fertilizer, dietary and feed supplement, and mild abrasive for metal polishing; Also used in dentifrices, dental abrasives, ceramic ware, china, glass, and phosphors; [HSDB]
Abrasive Blasting [Category: Clean]
Abrasive; fertilizer; feed supplement; in dentifrices, ceramic ware, china, glass, phosphors
Mild abrasive for metal polishing; nutrient and dietary supplement.
Used primarily as dental abrasives in fluoride-containing toothpastes.
U.S. Production2023: 5,000,000 - <10,000,000 lb
Industry UsesAbrasives
Methods of Manufacturing... By ignition of CaHPO4: St Pierre, J Am Chem SOC 77, 2197 (1955).
Formulations/PreparationsGrade: FCC
Household ProductsInformation on 8 consumer products that contain Calcium Pyrophosphate in the following categories is provided:
Use Classification
Food additives
Food Additives -> ACIDITY_REGULATOR; YEAST_FOOD -> JECFA Functional Classes
Food Additives -> ACIDITY_REGULATOR; YEAST_FOOD -> JECFA Functional Classes
Cosmetics -> Abrasive
General Manufacturing Information
Food, beverage, and tobacco product manufacturing
Diphosphoric acid, calcium salt (1:2): ACTIVE
...FOOD-SCIENCE LITERATURE & SEVERAL PATENTS HAVE PROPOSED CALCIUM ACID PYROPHOSPHATE, CAH2P2O7, AS A LEAVENING ACID. HOWEVER, NO COMMERCIAL FOOD APPLICATIONS...ARE KNOWN. DIBASIC CALCIUM PYROPHOSPHATE, CA2P2O7, IS NOT APPLICABLE IN FOOD...IT IS USED AS AN INSOL CRYSTALLINE POLISHING AGENT IN SOME TOOTHPASTES.
/FERTILIZER INGREDIENT/. ANY CALCIUM SALT OF POLYPHOSPHORIC ACID SUCH AS...DICALCIUM PYROPHOSPHATE... FERTILIZER GRADES OF CALCIUM POLYPHOSPHATE GENERALLY REFER TO PHOSPHATE MIXTURES CONTAINING A SUBSTANTIAL PROPORTION OF ONE OR MORE CALCIUM POLYPHOSPHATES...
Anwendungen
BeschreibungCalcium pyrophosphate has the molecular formula of Ca2P2O7 and the molecular weight of 254.1378 g/mol. It has the CAS number of 7790-76-3. It may be prepared by the solid-state reaction of the dibasic orthophosphate, or alternately by the precipitation of a soluble Ca salt with aqueous pyrophosphoric acid: 2CaHPO4 + heat Ca2P2O7 +H2O CaCl2 (aq) +H4P2O7 (aq) Ca2P2O7 (solid) + 2HCl (aq) The solid-state reaction produces an amorphous crystal at 240–500°C. b-Ca2P2O7 forms >750°C and a-Ca2P2O7 forms in the temperature range of 1140 to 1350°C. The free energy of formation, △Gf=-3132 kcal/mol. The product of the aqueous method is the dihydrate, Ca2P2O7·2H2O. It is a white powder and has the CAS number of 7790-76-3. It is insoluble in water but soluble in dilute acids. The anhydrate decomposes at 1353°C to form a metaphosphate: Ca2P2O7 + heat Ca(PO3)2 + CaOCalcium pyrophosphate is dimorphic. The phase transformation and sintering behaviors of Ca2P2O7 with different phase composition has been investigated by using X-ray powder diffraction (XRD), dilatometery and SEM techniques. It was found that although α-Ca2P2O7 (high-temperature form) could be maintained during its cooling process, it was metastable and retransformed into β-Ca2P2O7 (low-temperature form) at about 950 °C during its reheating process.
VerwendenCalcium Pyrophosphate is a nutrient and dietary supplement that exists as a white odorless powder, insoluble in water. it is used in dental impression materials and as a buffer.
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