Calcium pyrophosphate (Ca2P2O7) (HCID 24632)

概要

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

名称と識別子

優先名称: Calcium pyrophosphate (Ca2P2O7)
IUPAC: dicalcium;phosphonato phosphate
現地名: 二りん酸α,α:β,β-二カルシウム
英語名: CALCIUM PYROPHOSPHATE
分子式: Ca2O7P2
分子量: 254.1

名称と別名

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

名称をさらに表示

二りん酸α,α:β,β-ジカルシウム二りん酸カルシウム二りん酸α,α:β,β-二カルシウムピロリン酸二カルシウムピロリン酸Ｃａピロリン酸2CAリン酸カルシウム、アモルファスりん酸カルシウム (ピロ), 96% minピロりん酸カルシウム (99.95%-Ca)2-[(2-オキソ-1,3-ジオキサ-2λ5-ホスファ-4-カルカシクロブタン-2-イル)オキシ]-1,3-ジオキサ-2λ5-ホスファ-4-カルカシクロブタン-2-オン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

データベース識別子

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

物性

構造計算による物性

極性表面積: 136 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 124

実験および物理化学的性質

Chemical ClassesMetals -> Phosphates, Metallic Salts

Cosmetics · 2 件

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 件

Polymorphous crystals or powder

White powder

物理化学的性質

融点: 1230 °C · 1230 °C
比重(密度): 3.09 g/mL · 3.09 g/mL at 25 °C(lit.)
溶解性: 2 O: · H2O: 不溶性(点灯)
外見: 粉
比重: 3.09 · 3.09
色: 白い
臭い (Odor): 100 %で。無臭 · 100.00%で。無臭
水溶解度: 塩酸、硝酸に溶ける。水に不溶。
化粧品成分の機能: 研磨剤口腔ケア光安定剤
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 データベース: 7790 · 7790-76-3(CAS DataBase Reference)
EPAの化学物質情報: Diphosphoric acid, calcium salt (1:2) (7790-76-3)

化学的性質

化学的特性white powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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 件

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%)

安全と保護具

Disposal Methods · 1 件

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.

毒性情報

Toxicity Summary · 2 件

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 件

48.6

PPRTV Archive

1.95

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 5 件

Calcium pyrophosphate

8 mg/kg-day

PDF Document

Inadequate information to assess carcinogenic potential

2021

法規制情報

FDA Requirements · 2 件

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.

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 28353100
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
ストレージクラス: 11 - Combustible Solids
有毒物質データの: 7790-76-3(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 6 件

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:

応用分野 · 3 件

用途食品添加物原料(結着剤、強化剤)。

説明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.

使用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.