Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
시트르산칼슘(구연산칼슘)
시트르산칼슘 · 시트르산칼슘(구연산칼슘) · TRICALCIUM CITRATE TETRAHYDRATE · MAGNESIA 87231 · MAGGRAN(R) CCI · Calcium Citrates · Tricalcium dicit · CALCIUM(II) CITRATE
식별자 및 물리적 특성
| CAS No. | 5785-44-4 |
|---|---|
| 분자식 | C12H10Ca3O14 |
| 평균 분자량 | 498.4 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 시트르산칼슘(구연산칼슘) |
화학 및 물리적 성질
| 극성 표면적 | 281 |
|---|---|
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 14 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 29 |
| 형식 전하 | 0 |
| 복잡도 | 211 |
| 물질 분류 | Other Uses -> Food Additives |
| 화장품 | Cosmetic ingredients (Calcium Citrate) -> CIR (Cosmetic Ingredient Review)Buffering |
| 식품 첨가물 | FIRMING AGENT, NUTRIENT SUPPLEMENT, PH CONTROL AGENT, SEQUESTRANT -> FDA Substance added to food |
| 용해도 | 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/0.1 M HCl: 20°C에서 0.01°M, 투명, 무색 |
| Physical Description | Fine white powderTetrahydrate: White odorless solid[HSDB][HSDB] White odorless crystalline powder[MSDSonline] |
| Other Experimental Properties | WHITE NEEDLES /TETRAHYDRATE/White powder /Tetrahydrate/ |
| 녹는점 | >300°C |
| 저장 조건 | -20°C Freezer |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| 냄새 | 냄새 없는 |
| pH | 5-6 (20°C, 25g/L in H2O, slurry) |
| 용해도 | 물과 염산에 용해됩니다. |
| 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(분배 계수) | -1.721 (est) |
| EPA | Calcium citrate tetrahydrate (5785-44-4) |
화학적 성질
Calcium citrate tetrahydrate is white powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 |
| 기타 안전 정보 | 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 |
| 유해성 요약 | 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 요건 | 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 요건 | Residues of calcium citrate are exempted from the requirement of a tolerance when used as a solid diluent, 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. |
| Hazard Classes and Categories | Not Classified |
| 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. |
| Allowable Tolerances | Residues of calcium citrate are exempted from the requirement of a tolerance when used as a solid diluent, 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. |
| 독성 요약 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | Yes |
| 관세 코드 | 29181500 |
| 안전 문구(S) | 22-24/25 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Calcium citrate tetrahydrate is mainly used for Calcium supplements.
일반 설명
Thermal decomposition of calcium citrate tetrahydrate in dynamic air or dry nitrogen has been investigated by by TG, DTA and DSC.