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りん酸水素カルシウム

Calcium hydrogen phosphate

HCID 24441
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
7757-93-9
標準SMILES
O=P([O-])([O-])O.[Ca+2]
InChIKey
FUFJGUQYACFECW-UHFFFAOYSA-L
分子式
CaHO4P
平均分子量
136.06 g/mol
単同位体質量
135.9238364

概要

Calcium hydrogenphosphate is a calcium phosphate.

名称と識別子

優先名称
Calcium hydrogen phosphate
IUPAC
calcium hydrogen phosphate
現地名
りん酸水素カルシウム
英語名
Calcium phosphate dibasic
分子式
CaHO4P
分子量
136.06

名称と別名

7757-93-9CALCIUM HYDROGEN PHOSPHATECalcium phosphate dibasicDicalcium phosphatecalcium hydrogenphosphateDibasic calcium phosphateCalcium phosphate, dibasicBiofossecondary Calcium phosphateFujicalin SDicafos ANCalcium phosphate (1:1)
名称をさらに表示
酸性りん酸カルシウムモネタイトりん酸水素カルシウム第二りん酸カルシウム無水りん酸水素カルシウム二基性カルシウムホスフェトリン酸２Ｃａりん酸水素カルシウム二水和物リン酸カルシウム二塩基酸 PURISS. P.A.,ANHYDROUS,>98.5% (KT)りん酸水素カルシウム, 無水リン酸カルシウム 二塩基性りん酸カルシウム, 二塩基性 (99.95%-Ca)無水リン酸水素カルシウム (JAN)オルトリン酸水素カルシウムMONOCALCIUM PHOSPHATEAnhydrous Dibasic Calcium PhosphateMonetiteDicalciumPhosphateAnhydrousCALCIUM ORTHOPHOSPHATEcalciumdibasicphosphate
Dicalcium orthophosphatePhosphoric acid, calcium salt (1:1)Anhydrous EmcompressIpifosc 20Calcium hydrogen orthophosphateMonocalcium acid phosphateCalcium acid phosphateCalcium monohydrogen phosphate

データベース識別子

CAS
7757-93-9
PubChem CID
24441
DTXSID
DTXSID20872529
ChEMBL
CHEMBL2107567
ChEBI
CHEBI:32596
UNII
L11K75P92J
EC Number
231-826-1
Nikkaji
J43.741G

物性

構造計算による物性

極性表面積
83.4 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
0
重原子数
6
形式電荷
0
複雑度
46.5

実験および物理化学的性質

Chemical ClassesMetals -> Phosphates, Metallic Salts
Cosmetics · 2 件

Cosmetic ingredients (Dicalcium Phosphate) -> CIR (Cosmetic Ingredient Review)

Abrasive; Opacifying; Bulking

OdorOdorless
TasteTasteless
Food Additives · 1 件

ANTICAKING AGENT OR FREE-FLOW AGENT, DOUGH STRENGTHENER, DRYING AGENT, EMULSIFIER OR EMULSIFIER SALT, HUMECTANT, LEAVENING AGENT, MASTICATORY SUBSTANCE, NUTRIENT SUPPLEMENT, PH CONTROL AGENT, STABILIZER OR THICKENER -> FDA Substance added to food

Density · 2 件

2.89

Monoclinic crystals; density: 2.31 /Calcium hydrogen phosphate dihydrate, brushite/

Color/Form · 2 件

Triclinic crystals

White crystalline powder

Solubility · 4 件

Sparingly soluble in water. Insoluble in ethanol

Solubility: cold water 0.0316 g/100 cc @ 38 °C; hot water 0.075 g/100 cc @ 100 °C /Calcium hydrogen phosphate dihydrate/

Practically insol in water, alc

Sol in dil hydrochloric, nitric & acetic acids

Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 97.2% (455 of 468) of all reports.

Not Classified

Aggregated GHS information provided per 468 reports by companies from 5 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: Phosphoric acid, calcium salt (1:1)

Phosphoric acid, calcium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, calcium salt (1:1) 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: Calcium hydrogenorthophosphate (EC: 231-826-1)

Calcium phosphate, dibasic: Non hazardous

Other Safety InformationIMAP assessments - Phosphoric acid, calcium salt (1:1): Human health tier I assessment
Fire PotentialNONFLAMMABLE.
Hazards SummaryA skin and eye irritant; [HSDB] An irritant; [MSDSonline] See Calcium.
FDA Requirements · 5 件

Substances classified as stabilizers, when migrating from food-packaging material shall incl ... calcium hydrogen phosphate.

Calcium phosphate (mono-, di-, and tribasic) used as a multiple purpose GRAS food substance in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/

Calcium phosphate (mono-, di-, and tribasic) used as a nutrient in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/

Calcium phosphate (mono-, di-, and tribasic) used as a general purpose food additive in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/

化学と産業

薬理情報

Absorption, Distribution and Excretion... ITS ELEMENTS ARE SLOWLY ABSORBED FROM SMALL INTESTINE.

用途と製造

Uses · 6 件

CIR ingredient: Dicalcium Phosphate

Used in powdered drink mixes (buffering agent), effervescent tablets, antacids, baking products (leavening agent), animal feeds, mineral supplements, dental products, medications (pelletizing aid and thickening agent), and fertilizers; Also used in the production of ceramics, plastics, and glass; [HSDB]

Glass Manufacturing [Category: Industry]

Ceramics making [Category: Hobbies]

Control acidity in powdered drink mixes, ingredient in effervescent tablets, as a plastics stabilizer, and in ceramics. Its single largest application is as a leavening agent in bread, cake mixes, and self-rising flour.

Chiefly in animal feeds; mineral supplement in cereals and other foods; manuf of glass; in dental products, fertilizers.

ImpuritiesDicalcium phosphate, phosphoric acid.
U.S. Production2023: 250,000,000 - <400,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesSoil amendments (fertilizers)
Methods of Manufacturing · 2 件

... From calcium chloride & disodium phosphate; from tricalcium phosphate & phosphoric acid; where it is intermediate in prepn of hydroxyapatite.

Interaction of fluorine-free phosphoric acid with milk of lime.

Formulations/Preparations · 3 件

GRADES: United States Pharmacopeia; "Food Chemicals Codex"; Dentrifice grade; Feed grade, 18.5 or 21% phosphorus.

DOSAGE FORMS: CALCIUM PHOSPHATE & VITAMIN D (SQUIBB): EACH TABLET CONTAINS DIBASIC CALCIUM PHOSPHATE 228 MG, CALCIUM CARBONATE 45 MG, & VITAMIN D 330 IU.

関連反応

28 件
反応記録を作成
HRID 27676 の反応式
HRID 27676反応物としてuspto-grants-1980_09
HRID 716609 の反応式
HRID 716609反応物としてuspto-grants-2015_11
HRID 894499 の反応式
HRID 894499反応物としてuspto-grants-1981_08
HRID 971590 の反応式
HRID 971590反応物としてuspto-grants-1979_07
HRID 1027325 の反応式
HRID 1027325反応物としてuspto-grants-2014_05
HRID 1106224 の反応式
HRID 1106224反応物としてuspto-grants-1982_01
HRID 1109699 の反応式
HRID 1109699反応物としてuspto-grants-1994_06
HRID 1277500 の反応式
HRID 1277500反応物としてuspto-grants-1981_07
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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Refractive IndexIndex of refraction = 1.5576, 1.5457, 1.5392 /Calcium hydrogen phosphate dihydrate/
Physical Description · 3 件

Large Crystals; CBI; Dry Powder; Other Solid

White crystals or granules, granular powder or powder

Solid; Practically insoluble in water; [Merck Index] White powder; Insoluble in water; [MSDSonline]

物理化学的性質

融点
370 °C · 370°C(decomposition)
比重(密度)
2.306 · 2.306(16℃)
貯蔵温度
2 · 2-8°C
溶解性
96 %）にほとんど溶けず、希塩酸および希硝酸に溶ける。 · 水およびエタノール（96%）にほとんど溶けず、希塩酸および希硝酸に溶ける。
外見
ジェル（熟成）
色
白い
PH
7 · 7 (10g/l, H2O, 20°C) suspension
水溶解度
水にやや溶けにくく、冷水にはほとんど溶けない。
Merck
13 · 13,1697
安定性
安定。強力な酸化剤とは相容れない。
主な用途
医薬品（低分子化合物）
化粧品成分の機能
不透明剤口腔ケア増量剤研磨剤
InChI
1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2
InChIKey
FUFJGUQYACFECW-UHFFFAOYSA-L
SMILES
[Ca++].OP([O-])([O-])=O
LogP
-2.148 · -2.148 (est)
CAS データベース
7757 · 7757-93-9(CAS DataBase Reference)
EPAの化学物質情報
Calcium hydrogen phosphate (7757-93-9)

化学的性質

化学的特性Anhydrous dibasic calcium phosphate is a white, odorless, tasteless powder or crystalline solid. It occurs as triclinic crystals.

Calcium phosphate (mono-, di-, andtribasic) used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/

Special Reports · 2 件

Optimal Calcium Uptake. Current Bibliographies in Medicine 94-4. Public Services Division/National Library of Medicine. 775 citations from January, 1990-April, 1994. Available from: http://www.nlm.nih.gov/pubs/cbm/calcium.html

WHO; Diseases Caused by Phosphorus and Its Toxic Compounds; Early Detection of Occupational Diseases pg 53-62 (1986). Review of diseases and health related effects resulting from exposure to phosphorus or phosphorus cmpd.

FIFRA Requirements · 1 件

Residues of calcium phosphate are exempted from the requirement of a tolerance when used as a solid diluent or carrier in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. /Calcium phosphate/

Hazard Classes and CategoriesNot Classified
Skin, Eye, and Respiratory IrritationsSkin and eye irritant.

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.

Preventive Measures · 1 件

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Allowable Tolerances · 1 件

Residues of calcium phosphate are exempted from the requirement of a tolerance when used as a solid diluent or carrier in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. /Calcium phosphate/

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...Dicalcium Phosphate...

Safe for use in cosmetics, with qualifications

Natural Pollution SourcesOCCURS IN NATURE AS MINERAL MONETITE.
RAIS Toxicity Values · 4 件

48.6

PPRTV Archive

8

PPRTV Current

Acceptable Daily Intakes · 1 件

FAO/WHO EXPERT COMMITTEE ON FOOD ADDITIVES...RECOMMENDED.../LEVELS/ FOR TOTAL DIETARY PHOSPHORUS...UNCONDITIONAL ACCEPTANCE LEVEL /OF LESS THAN 30 MG/KG BODY WT/ IS CONSIDERED SAFE IN ANY TYPE OF DIET...CONDITIONAL ACCEPTANCE LEVEL /OF 30-70 MG/KG BODY WT/ IS ACCEPTABLE ONLY WHEN DIETARY CALCIUM LEVEL IS HIGH /PHOSPHATES/

EPA Provisional Peer-Reviewed Toxicity Values · 5 件

Dicalcium phosphate

8 mg/kg-day

PDF Document

Inadequate information to assess carcinogenic potential

2021

法規制情報

FDA Requirements · 5 件

Substances classified as stabilizers, when migrating from food-packaging material shall incl ... calcium hydrogen phosphate.

Calcium phosphate (mono-, di-, and tribasic) used as a multiple purpose GRAS food substance in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/

Calcium phosphate (mono-, di-, and tribasic) used as a nutrient in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice. /Calcium phosphate (mono-, di-, and tribasic)/

Calcium phosphate (mono-, di-, and tribasic) used as a general purpose food additive in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/

Calcium phosphate (mono-, di-, andtribasic) used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice. /Calcium phosphate (mono-, di-, and tribasic)/

FIFRA Requirements · 1 件

Residues of calcium phosphate are exempted from the requirement of a tolerance when used as a solid diluent or carrier in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. /Calcium phosphate/

安全データ

wgk
3
tsca
TSCA listed
毒性
LD50 orally in Rabbit: 10000 mg/kg LD50 dermal Rabbit > 7940 mg/kg
hs_code
2835 25 00
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-24/25-22
ストレージクラス
11 - Combustible Solids
有毒物質データの
7757-93-9(Hazardous Substances Data)

Anhydrous and monohydrate salt

Household ProductsInformation on 13 consumer products that contain Dicalcium phosphate in the following categories is provided:
Use Classification · 5 件

Food additives

Food Additives -> FLOUR_TREATMENT_AGENT; YEAST_FOOD -> JECFA Functional Classes

Food Additives -> FLOUR_TREATMENT_AGENT; YEAST_FOOD -> JECFA Functional Classes

Food Additives -> FLOUR_TREATMENT_AGENT; YEAST_FOOD -> JECFA Functional Classes

Cosmetics -> Abrasive; Opacifying; Bulking

General Manufacturing Information · 6 件

Agriculture, Forestry, Fishing and Hunting

Phosphoric acid, calcium salt (1:1): ACTIVE

... CAN INACTIVATE METALLIC IONS, WHICH ARE CAPABLE OF INTERFERING WITH NECESSARY FOOD-PROCESSING REACTIONS ... /INACTIVATION IS/ EITHER BY PPTN & REMOVING THEM FROM INTERFERENCE WITH DESIRED FOOD-PROCESSING REACTIONS OR BY COMPLEXING & MAINTAINING THEM IN SOL, BOUND STATE. /PHOSPHATES/

Because calcium hydrogen phosphate is incongruently soluble, it is typically contaminated with various amounts (6-10%) of dicalcium phosphate and free phosphorus acid resulting from in-process disproportionation of the monocalcium salt.

Since phosphorus acid impurity may render the product hygroscopic and absorbed water and acid catalyzes further disproportionation, excess lime may be added to industrial monocalcium phosphate to ensure removal of residual free phosphoric acid. Therefore the product may contain dicalcium phosphate.

... The hygroscopic nature of anhydrous monocalcium phosphate limited its commercial applications. However, the addition of small amounts of potassium (+1), sodium (+1), and aluminum (+3) ions to the crystallization mother liquor ... results ... glassy coating protects the calcium phosphate from moisture and greatly improves its handling properties and performance in several applications ...

応用分野 · 4 件

解説リン酸水素カルシウム(calcium (mono)hydrogenphosphate)：CaHPO4(136.06)．略称DCP．第二リン酸カルシウムともいう．リン酸二水素ナトリウムとリン酸二水素カリウムの水溶液に，塩化カルシウム水溶液を加え，pH を4～5に保つと二水和物として得られる．工業的には，石灰乳をリン酸で中和してつくる．二水和物[CAS 7789-77-7]は，無色のりん片状の六方晶系または斜方晶系結晶．密度2.31 g cm－3．水に難溶，エタノールに不溶，塩酸，硝酸に可溶．36 ℃ 以上で徐々に無水和物になる．無水和物は，三斜晶系結晶．密度2.892 g cm－3．水に難溶，塩酸，硝酸に易溶．二酸化炭素を含む水には少量溶ける．歯磨き用研磨剤として二水和物が大量に使用されている．ベーキングパウダー助剤，食品のカルシウム補給，医薬原料，動物飼料の添加剤などとして使用される．

用途合成ゴム重合用、ガソリン重合用、カルシウム補給剤、歯磨き基剤

用途食品のCa強化剤。

使用Replenisher (calcium); pharmaceutic aid (tablet base).

調製方法 · 2 件

Calcium phosphates are usually prepared by reacting very pure phosphoric acid with calcium hydroxide, Ca(OH)2 obtained from limestone, in stoichiometric ratio in aqueous suspension followed by drying at a temperature that will allow the correct hydration state to be achieved. After drying, the coarse-grade material is obtained by means of a classification unit; the fine particle-size material is obtained by milling. Dibasic calcium phosphate, anhydrous, may also be prepared by spray-drying.

純化方法Crystallise it from a near-saturated solution in 50% aqueous reagent grade phosphoric acid at 100o by filtering through fritted glass and cooling to room temperature. The crystals are filtered off, and this process is repeated three times using fresh acid. For the final crystallisation the solution is cooled slowly with constant stirring to give thin plate crystals that are filtered off on a fritted glass funnel, washed free of acid with anhydrous acetone and dry in a vacuum desiccator [Egan et al.J Am Chem Soc 78 1811 1956].

上流・下流製品情報

上流原料

ビス(りん酸二水素)カルシウムPhosphate rock powderメチルレッドCalcium chloride solution 36-40%, (1box=27kgs)炭酸カルシウム（ＩＩ）（１：１）カルシウムオキシドPHOS ROCK FERTILIZER IN BULK二りん酸カルシウム·水和物calcium magnesium phosphate(CMP)塩化ナトリウムIndicator硫酸CA水和物メチルブルー尿素湿式リン酸けい素ジオキシドりん酸水素カルシウム·2水和物硫酸水素硫酸カリウム

補足説明

定義本品は、リン酸(*)の二カルシウム塩であり、次の化学式で表される。参照表示名称：リン酸