Dicalciumpyrophosphat
CALCIUM DIPHOSPHATE · DICALCIUMDIPHOSPHATE · Calcium pyrophosphat · CALCIUM PYROPHOSPHATE · DICALCIUM PYROPHOSPHATE · CALCIUM PHOSPHATE (PYRO) · calciumphosphate(ca2p2o7) · Calcium Pyrophosphate (98%)
Identifikatoren & physikalische Daten
| CAS No. | 10086-45-0 |
|---|---|
| Summenformel | Ca2P2O7 |
| Durchschnittliche Molmasse | 254,1 g/mol |
| Monoisotopische Masse | 253,83710756 g/mol |
| SMILES | O=P([O-])([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2] |
| InChIKey | JUNWLZAGQLJVLR-UHFFFAOYSA-J |
| PubChem CID | 24632 |
| ChEBI | CHEBI:32598 |
| EC No. | 232-221-5 |
| DTXSID | DTXSID50872512 |
| Lokaler Name | Dicalciumpyrophosphat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 136 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 124 |
| Stoffklassen | Metals -> Phosphates, Metallic Salts |
| Kosmetika | Cosmetic ingredients (Calcium Pyrophosphate) -> CIR (Cosmetic Ingredient Review)Abrasive |
| pH | Between 5,5 and 7,0 (10 % suspension in water) |
| Lebensmittelzusatzstoffe | NUTRIENT SUPPLEMENT -> FDA Substance added to food |
| Dichte | 3.093.09 g/mL at 25 °C(lit.) |
| Color/Form | Polymorphous crystals or powderWhite powder |
| Löslichkeit | Insoluble in water. Soluble in dilute hydrochloric and nitric acidsSol in dil hydrochloric and nitric acidspractically insol in waterDilute acidinsoluble in waterH2O: insoluble(lit.)Soluble in hydrochloric acid and nitric acid. Insoluble in water. |
| Decomposition | WHEN HEATED TO DECOMP, CAN EMIT HIGHLY TOXIC FUMES OF /PHOSPHORUS OXIDES/. /PHOSPHATES/ |
| Schmelzpunkt | 1353 °C1230 °C |
| Brechungsindex | INDEX OF REFRACTION: 1.585, 1.604 |
| Physical Description | Dry PowderA fine, white, odourless powderCrystals or powderInsoluble in water[Merck Index] White powder[MSDSonline] |
| Aggregatzustand | Powder |
| Wichte | 3.09 |
| Farbe | White |
| Geruch | at 100.00%. odorless |
| Kosmetik-Inhaltsstoffe Funktionen | ABRASIVEORAL CARELIGHT STABILIZER |
| InChI | 1S/2Ca.H4O7P2/c1-8(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 (Verteilungskoeffizient) | -3.420 (est) |
| CAS Datenbank | 7790-76-3(CAS DataBase Reference) |
| EPA chemische Informationen | Diphosphoric acid, calcium salt (1:2) (7790-76-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 20.4% (11 of 54) of reports.WarningH315 (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. |
|---|---|
| Regulatorische Informationen | 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)Status: Active Update: 08-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20286Diphosphoric 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. |
| Weitere Sicherheitsinformationen | IMAP assessments - Diphosphoric acid, calcium salt (1:2): Human health tier I assessment |
| Gefahrenübersicht | May cause irritation[MSDSonline] See Calcium. |
| FDA-Anforderungen | 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 Categories | Skin Irrit. 2 (79.6%) |
| Entsorgungsverfahren | 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. |
| Toxizitätsübersicht | 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 | 48.6PPRTV Archive1.95PPRTV Current |
| EPA Provisional Peer-Reviewed Toxicity Values | Calcium pyrophosphate8 mg/kg-dayPDF DocumentInadequate information to assess carcinogenic potential2021 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 28353100 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 7790-76-3(Hazardous Substances Data) |
Anwendungen & Verwendung
Beschreibung
Calcium 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.
Verwenden
Calcium 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.