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グリセロりん酸カルシウム水和物

Calcium Glycerophosphate

HCID 62820
ノート反応
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
27214-00-2
標準SMILES
O=P([O-])([O-])OC(CO)CO.[Ca+2]
InChIKey
UHHRFSOMMCWGSO-UHFFFAOYSA-L
分子式
C3H7CaO6P
平均分子量
210.14 g/mol
単同位体質量
209.9606158

概要

Calcium glycerophosphate is an organic calcium salt having glycerol 2-phosphate(2) as the counterion. It contains a glycerol 2-phosphate(2-).

名称と識別子

優先名称
Calcium Glycerophosphate
IUPAC
calcium 1,3-dihydroxypropan-2-yl phosphate
現地名
グリセロりん酸カルシウム水和物
英語名
CALCIUM GLYCEROPHOSPHATE
分子式
C3H7CaO6P
分子量
210.14

名称と別名

calcium 1,3-dihydroxypropan-2-yl phosphatebeta-glycerophosphoric acid calcium saltXWV9Z12C1C1,2,3-Propanetriol, mono(dihydrogen phosphate) calcium saltCHEBI:313361,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt (1:1)Glycerol, mono(dihydrogen phosphate), calcium salt (1:1)NEROZINNEUROSINPRELIEFGlycerophosphate, CalciumRefChem:573473
名称をさらに表示
グリセロりん酸カルシウム水和物1,2,3-プロパントリオールモノ(二水素ホスファート)カルシウム塩グリセロリン酸カルシウムグリセロリン酸Caグリセロりん酸カルシウム,水和物グリセロリン酸カルシウム (JAN)Glycerophosphoric acid calcium saltCalcium GlycerophosphoricCALCIUM GLYCEROPHOSPHATE POWDERGlycerol phosphate calcium saltBETA-GLYCEROPHOSPHATE CALCIUM SALTCalucium Glycerophosphate
DTXSID20873177248-328-5249-312-027214-00-2Calcium GlycerophosphateCalcium glycerylphosphateCalcium beta-glycerophosphate58409-70-4

物性

構造計算による物性

極性表面積
113 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
3
重原子数
11
形式電荷
0
複雑度
113

実験および物理化学的性質

CosmeticsOral care; Antiplaque
Food AdditivesNUTRIENT SUPPLEMENT, STABILIZER OR THICKENER -> FDA Substance added to food
SolubilitySoluble
Melting PointDecomposes at 170
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

物理化学的性質

融点
170 ℃ · > 170℃
比重(密度)
1.82 · 1.82-1.855[at 20℃]
蒸気圧
0 Pa · 0Pa at 25℃
貯蔵温度
Inert atmosphere,Room Temperature
溶解性
水にやや溶けにくく、エタノールにはほとんど溶けません (96%)。
外見
powder to crystal
色
White to Almost white
水溶解度
かすかな濁り
Merck
14 · 14,1670
化粧品成分の機能
抗プラーク口腔ケア
InChI
InChI=1S/C3H9O6P.Ca/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2

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 · 6 件

This chemical does not meet GHS hazard criteria for 97.4% (74 of 76) of all reports.

Not Classified

Aggregated GHS information provided per 76 reports by companies from 3 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.

Warning

H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt (1:1)

REACH registered substance: Calcium glycerophosphate (EC: 248-328-5)

Calcium Glycerophosphate: 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 - 1,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt (1:1): Human health tier I assessment
Hazard Classes and Categories · 2 件

Not Classified

Skin Irrit. 2 (97.4%)

安全データ

tsca
TSCA listed
hs_code
2919.90.5050
化審法
(2)-1905
safety_code
22-24/25

化学と産業

薬理情報

ATC Code · 2 件

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

Pharmacodynamics · 1 件

It is thought that calcium glycerophosphate may act through a variety of mechanisms to produce an anti-caries effect. These include increasing acid-resistance of the enamel, increasing enamel mineralization, modifying plaque, acting as a pH-buffer in plaque, and elevating [DB01373] and phosphate levels. When used as an electrolyte replacement, calcium glycerophosphate donates [DB01373] and inorganic phosphate. Calcium glycerophosphate is preferable to calcium phosphate due to its increased solubility. Compared to combination calcium gluconate and potassium phosphate, calcium glycerophosphate produces greater phosphate retention which allows for increased [DB01373] retention and ultimately greater incorporation of the ions into bone structure.

Mechanism of Action · 1 件

Calcium glycerophosphate in combination with sodium monofluorophosphate was found to reduce the acid solubility of enamel. This is thought to be due to increased uptake of fluoride in a non-alkali soluble form at the expense of a fraction remaining in the alkali-soluble form of calcium fluoride. It is also thought that calcium glycerophosphate enhances the remineralization effect of sodium monofluorophosphate leading to greater remineralization of enamel but the mechanism behind this is unknown. Calcium glycerophosphate reduces the decrease in plaque pH produced by sucrose solutions. This may be due to the buffering action of donated phosphate which acts as an acceptor to three hydrogen ions to form biphosphate, dihydrogen phosphate, and finally phosphoric acid. As bisphosphate and dihydrogen phosphate are amphoteric, these molecules can act as buffers against both acids and bases. Studies on plaque-modification by calcium glycerophosphate have been inconsistent. Redections in plaque weight and plaque area have been noted in separate studies but neither has been confirmed and no causative link has been established in regards to calcium glycerophosphate's anti-caries effect. Calcium glycerophosphate donates [DB01373] and inorganic phosphate resulting in elevated levels of the ions in plaque. These ions are important components of the mineral structure of teeth. As such, their presence supports maintenance of healthy tooth structure and mineralization. In electrolyte replacement calcium glycerophosphate again acts as a donor of [DB01373] and phosphate. See [DB11348] for pharmacological descriptions of calcium and phosphate.

関連反応

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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

データベース識別子

CAS
27214-00-2、58409-70-4
PubChem CID
62820
DTXSID
DTXSID1048962
ChEMBL
CHEMBL6067969
ChEBI
CHEBI:31336
UNII
Y56W30YB7O
EC Number
248-328-5、261-240-1
Nikkaji
J21.622D
InChIKey
IWIRHXNCFWGFJE-UHFFFAOYSA-L
SMILES
P([O-])([O-])(=O)OCC(O)CO.[Ca+2]
LogP
-2.31 at · -2.31 at 20℃
CAS データベース
27214 · 27214-00-2(CAS DataBase Reference)
EPAの化学物質情報
1 · 1,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt (1:1) (27214-00-2)

化学的性質

化学的特性White or almost white powder, hygroscopic.

用途と製造

Household ProductsInformation on 1 consumer products that contain Calcium Glycerophosphate in the following categories is provided:
Use ClassificationCosmetics -> Oral care; Antiplaque
General Manufacturing Information1,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt (1:1): ACTIVE

応用分野

用途カルシウム強化剤、医薬品原料

使用Calcium glycerylphosphate (or calcium glycerophosphate) is a mineral supplement.

上流・下流製品情報

上流原料

Phosphoglycolic acid水酸化カルシウム

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合肥翰刚医药科技有限公司+8618062405514 · [email protected]
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TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
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補足説明

定義本品は、グリセロリン酸のカルシウム塩であり、次の化学式で表される。