基本情報
- 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
- 135.92383612
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
名称をさらに表示
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
Cosmetics
Cosmetic ingredients (Dicalcium Phosphate) -> CIR (Cosmetic Ingredient Review)
Bulking; Opacifying; Abrasive
Food Additives
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
2.89
Monoclinic crystals; density: 2.31 /Calcium hydrogen phosphate dihydrate, brushite/
Color/Form
Triclinic crystals
White crystalline powder
Solubility
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
Physical Description
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.
安全と法規制
GHS分類
GHS Classification
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
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)
Status: Active Update: 14-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15458
Calcium phosphate, dibasic: Non hazardous
FDA Requirements
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)/
Special Reports
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
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/
安全と保護具
Disposal Methods
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
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
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
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
RAIS Toxicity Values
48.6
PPRTV Archive
8
PPRTV Current
Acceptable Daily Intakes
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
Dicalcium phosphate
8 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2021
法規制情報
FDA Requirements
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
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)
化学と産業
薬理情報
用途と製造
Uses
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.
Methods of Manufacturing
... 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
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.
Anhydrous and monohydrate salt
Use Classification
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 -> Bulking; Opacifying; Abrasive
General Manufacturing Information
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
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
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
サプライヤー50 社
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
関連反応
関連ノート
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