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くえん酸カルシウム四水和物
くえん酸カルシウム四水和物 · クエン酸三カルシウム 四水和物 · くえん酸カルシウム四水和物, 96% · クエン酸カルシウム水和物 · TRICALCIUM CITRATE TETRAHYDRATE · MAGNESIA 87231 · MAGGRAN(R) CCI · Calcium Citrates
識別子と物理属性
| CAS No. | 5785-44-4 |
|---|---|
| 分子式 | C12H10Ca3O14 |
| 平均分子量 | 498.4 g/mol |
| 単同位体質量 | 497.89482794 g/mol |
| SMILES | O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2] |
| InChIKey | FNAQSUUGMSOBHW-UHFFFAOYSA-H |
| PubChem CID | 13136 |
| ChEMBL | CHEMBL2106123 |
| ChEBI | CHEBI:190513 |
| EC No. | 212-391-7 |
| DTXSID | DTXSID7061148 |
| 現地名 | くえん酸カルシウム四水和物 |
化学・物理的性質
| 極性表面積 | 281 |
|---|---|
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 14 |
| 回転可能結合数 | 4 |
| 重原子数 | 29 |
| 形式電荷 | 0 |
| 複雑度 | 211 |
| 物質分類 | Other Uses -> Food Additives |
| 化粧品 | Cosmetic ingredients (Calcium Citrate) -> CIR (Cosmetic Ingredient Review)Buffering |
| 食品添加物 | FIRMING AGENT, NUTRIENT SUPPLEMENT, PH CONTROL AGENT, SEQUESTRANT -> FDA Substance added to food |
| 溶解度 | White powder, odorless. Insol in alcohol. Loses most of its water @ 100 °C and all @ 120 °C /Tetrahydrate/Soluble in 1050 parts cold watersomewhat more sol in hot waterinsoluble in alcohol. /Tetrahydate/0.085 G & 0.096 G/100 CC WATER @ 18 °C & 23 °Closes most of its water @ 100 °C and all @ 120 °Csol in 1050 parts cold watersomewhat more in hot waterinsol in alc /Tetrahydrate/0.1M HCl：20℃で0.01M、透明、無色水、塩酸に溶ける。 |
| Physical Description | Fine white powderTetrahydrate: White odorless solid[HSDB][HSDB] White odorless crystalline powder[MSDSonline] |
| Other Experimental Properties | WHITE NEEDLES /TETRAHYDRATE/White powder /Tetrahydrate/ |
| 融点 | >300°C |
| 貯蔵条件 | -20°C Freezer |
| 外観・状態 | 液体 |
| 色 | クリア |
| 臭い | 無臭 |
| pH | 5-6 (20°C, 25g/L in H2O, slurry) |
| Merck | 13,1662 |
| BRN | 3924520 |
| InChI | 1S/2C6H8O7.3Ca.4H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)4*1H2/q3*+2/p-6 |
| InChIKey | LNIZKKFWMDARJV-UHFFFAOYSA-H |
| SMILES | O.O.O.O.OC1(CC(=O)O[Ca]OC(=O)C1)C(=O)O[Ca]OC(=O)C2(O)CC(=O)O[Ca]OC(=O)C2 |
| LogP（分配係数） | -1.721 (est) |
| CAS データベース | 5785-44-4(CAS DataBase Reference) |
| EPAの化学物質情報 | Calcium citrate tetrahydrate (5785-44-4) |
化学的特性
Calcium citrate tetrahydrate is white powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 99% (97 of 98) of all reports.Not ClassifiedAggregated GHS information provided per 98 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3)Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium saltStatus: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11241Calcium citrate: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3): Human health tier I assessmentIMAP assessments - 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt: Human health tier I assessment |
| 有害性の概要 | Generally regarded as safe (GRAS) for use in foods[HSDB] See Tricalcium citrate. See Calcium.Used in food and generally recognized as safe (GRAS)[HSDB] May cause irritationPoses little or no danger to human health[MSDSonline] See Calcium citrate. See Calcium. |
| FDA 要件 | Substance added directly to human food affirmed as generally recognized as safe (GRAS).Calcium citrate used as a general purpose food additive is generally recognized as safe when used in accordance with good manufacturing or feeding practice.Calcium citrate used as a nutrient and/or dietary supplement is generally recognized as safe when used in accordance with good manufacturing or feeding practice.Calcium citrate used as a sequestrant is generally recognized as safe when used in accordance with good manufacturing or feeding practice. |
| 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 |
| EPA Safer Chemical | Chemical: Calcium citrate |
| FIFRA 要件 |
用途
用途
カルシウム増強剤研究用、カルシウム化合物の製造原料。
使用
Calcium citrate tetrahydrate is mainly used for Calcium supplements.
一般的な説明
Thermal decomposition of calcium citrate tetrahydrate in dynamic air or dry nitrogen has been investigated by by TG, DTA and DSC.