칼슘파이로포스페이트
칼슘파이로포스페이트 · CALCIUM DIPHOSPHATE · DICALCIUMDIPHOSPHATE · Calcium pyrophosphat · CALCIUM PYROPHOSPHATE · DICALCIUM PYROPHOSPHATE · CALCIUM PHOSPHATE (PYRO) · calciumphosphate(ca2p2o7)
식별자 및 물리적 특성
| CAS No. | 10086-45-0 |
|---|---|
| 분자식 | Ca2P2O7 |
| 평균 분자량 | 254.1 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 칼슘파이로포스페이트 |
화학 및 물리적 성질
| 극성 표면적 | 136 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 124 |
| 물질 분류 | Metals -> Phosphates, Metallic Salts |
| 화장품 | Cosmetic ingredients (Calcium Pyrophosphate) -> CIR (Cosmetic Ingredient Review)Abrasive |
| pH | Between 5,5 and 7,0 (10 % suspension in water) |
| 식품 첨가물 | NUTRIENT SUPPLEMENT -> FDA Substance added to food |
| 밀도 | 3.093.09 g/mL at 25 °C(lit.) |
| Color/Form | Polymorphous crystals or powderWhite powder |
| 용해도 | Insoluble in water. Soluble in dilute hydrochloric and nitric acidsSol in dil hydrochloric and nitric acidspractically insol in waterDilute acidinsoluble in waterH2O: 불용성(lit.) |
| Decomposition | WHEN HEATED TO DECOMP, CAN EMIT HIGHLY TOXIC FUMES OF /PHOSPHORUS OXIDES/. /PHOSPHATES/ |
| 녹는점 | 1353 °C1230 °C |
| 굴절률 | INDEX OF REFRACTION: 1.585, 1.604 |
| Physical Description | Dry PowderA fine, white, odourless powderCrystals or powderInsoluble in water[Merck Index] White powder[MSDSonline] |
| 물리적 상태 | 가루 |
| 비중 | 3.09 |
| 색상 | 하얀색 |
| 냄새 | 100.00%. 냄새 없는 |
| 용해도 | 염산과 질산에 용해됩니다. 물에 불용성. |
| 화장품 원료 기능 | 연마제구강 관리광안정기 |
| 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(분배 계수) | -3.420 (est) |
| EPA | Diphosphoric acid, calcium salt (1:2) (7790-76-3) |
화학적 성질
white powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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. |
| 기타 안전 정보 | IMAP assessments - Diphosphoric acid, calcium salt (1:2): Human health tier I assessment |
| 유해성 요약 | May cause irritation[MSDSonline] See Calcium. |
| FDA 요건 | 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%) |
| 처리 방법 | 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. |
| 독성 요약 | 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... |
용도
개요
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.
용도
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.