CAS 10086-45-0 Calcium pyrophosphate (Ca2P2O7) (HCID 24632)

Overview

Calcium diphosphate is a calcium phosphate. It contains a diphosphate(4-).

Names & identifiers

Preferred name: Calcium pyrophosphate (Ca2P2O7)
IUPAC: dicalcium;phosphonato phosphate
English name: CALCIUM PYROPHOSPHATE
Molecular formula: Ca2O7P2
Molecular weight: 254.1

Names & synonyms

CALCIUM PYROPHOSPHATE7790-76-3Dicalcium pyrophosphateDiphosphoric acid, calcium saltDiphosphoric acid, calcium salt (1:2)Calcium pyrophosphate (Ca2P2O7)Calcium phosphate (Ca2P2O7)Pyrophosphoric acid, calcium salt (1:2)X69NU20D19CHEBI:32598DTXSID50872512Diphosphate, Calcium

Show more names

CALCIUM DIPHOSPHATEDICALCIUMDIPHOSPHATECalcium pyrophosphatCALCIUM PHOSPHATE (PYRO)calciumphosphate(ca2p2o7)Calcium Pyrophosphate (98%)Diphosphoricacid,calciumsaltCalcium phosphate (pyro) min

Pyrophosphate, CalciumRefChem:122901Pyrophosphate Dihydrate, CalciumMonohydrate Calcium PyrophosphateDTXCID40820163Pyrophosphate, Monohydrate Calcium232-221-5A7X6BBX98K

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 136 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 124

Experimental & physicochemical properties

Chemical ClassesMetals -> Phosphates, Metallic Salts

Cosmetics · 2 items

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 · 2 items

Polymorphous crystals or powder

White powder

Physicochemical properties

Melting point: 1230 °C · 1230 °C
Density: 3.09 g/mL · 3.09 g/mL at 25 °C(lit.)
solubility: 2 O: · H2O: insoluble(lit.)
form: Powder
Specific Gravity: 3.09 · 3.09
color: White
Odor: 100 % · at 100.00%. odorless
Water Solubility: Soluble in hydrochloric acid and nitric acid. Insoluble in water.
Cosmetics Ingredients Functions: 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 DataBase Reference: 7790 · 7790-76-3(CAS DataBase Reference)
SCOGS (Select Committee on GRAS Substances): Calcium pyrophosphate
Substances Added to Food (formerly EAFUS): CALCIUM PYROPHOSPHATE
FDA 21 CFR: 182.8223 · 182.8223; 582.5223
EWG's Food Scores: 1 · 1
FDA UNII: 69 NU20D19 · X69NU20D19
EPA Substance Registry System: Diphosphoric acid, calcium salt (1:2) (7790-76-3)
UNSPSC Code: 12352302 · 12352302
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 a-P304+P340-P405-P501a-P261-P305+P351+P338 · P280a-P304+P340-P405-P501a-P261-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 28353100 · 28353100
Storage Class: 11 · 11 - Combustible Solids
Hazardous Substances Data: 7790 · 7790-76-3(Hazardous Substances Data)
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 4 items

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/20286

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 · 2 items

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%)

Safety & protection

Disposal Methods · 1 item

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.

Toxicology

Toxicity Summary · 2 items

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 · 4 items

48.6

PPRTV Archive

1.95

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 5 items

Calcium pyrophosphate

8 mg/kg-day

PDF Document

Inadequate information to assess carcinogenic potential

2021

Regulatory information

FDA Requirements · 2 items

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.

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 28353100
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P280a-P304+P340-P405-P501a-P261-P305+P351+P338
Hazardous Substances Data: 7790-76-3(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

Uses · 6 items

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:

Applications · 3 items

DescriptionCalcium 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.

UsesCalcium 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.

UsesCalcium phosphate is used in the production of phosphoric acid and fertilizers. It is used in baking as the acid in a leavening agent. It is also used in cheese products. This compound has also been used in gene transfection of cells. It is also being used in the development of contrast agents.