基本情報
- CAS
144-23-0- 標準SMILES
O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Mg+2]- InChIKey
DIXGJWCZQHXZNR-UHFFFAOYSA-L- 分子式
- C6H6MgO7
- 平均分子量
- 214.41 g/mol
- 単同位体質量
- 213.9963942
概要
Magnesium citrate is a magnesium salt composed of magnesium and dibasic citrate ions in a 1:1 ratio. It has a role as a laxative and a food acidity regulator. It contains a 3-carboxy-3-hydroxypentanedioate.
名称と識別子
- 優先名称
- Magnesium citrate dibasic
- IUPAC
- magnesium 3-carboxy-3-hydroxypentanedioate
- 現地名
- クエン酸マグネシウム
- 英語名
- Magnesium citrate dibasic, anhydrous
- 分子式
- C6H10MgO7
- 分子量
- 218.44
名称と別名
Magnesium citrate dibasicmagnesium hydrogen citrate144-23-0CitresiaCitronemaEpimagAcid magnesium citrateMagnesium citrate, dibasicCMX69F3697DTXSID301014966Citric acid, magnesium salt (1:1)1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt (1:1)
名称をさらに表示
MAGNESIUM CITRATE ANHYDROUSMAGNESIUMCITRATEMALATEMagnesiuM Citrate 5H2OmagnesiumhydrogencitrateMAGNESIUM HYDROGEN CITRATE(5H2O)CitricAcid,MagnesiumSalt,DibasicMagnesium citrate tetradecahydratemagnesium 3-carboxy-3-hydroxy-glutarate
MAGNESIUM CITRATE DIBASIC [MI]RefChem:800506DTXCID801473303604-400-1magnesium 3-carboxy-3-hydroxypentanedioatemagnesium;3-carboxy-3-hydroxypentanedioateMagnesium citrate dibasic, anhydrous7779-25-1
データベース識別子
- CAS
144-23-0
物性
構造計算による物性
- 極性表面積
- 138 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 216
物理化学的性質
- 貯蔵温度
- Store at RT.
- 外見
- solid
- PH
- 4.79 · 4.79(1 mM solution);4.4(10 mM solution);4.08(100 mM solution);3.79(1000 mM solution)
- 水溶解度
- 2 O;可溶性希酸 · わずかに溶けるH2O;可溶性希酸 [MER06]
- Merck
- 14 · 14,5663
- InChI
- InChI=1S/C6H8O7.Mg.2H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;
- InChIKey
- DIXGJWCZQHXZNR-UHFFFAOYSA-L
- SMILES
- C(O)(C(=O)O)(CC(=O)O)CC(=O)O.[Mg]
- CAS データベース
- 144 · 144-23-0(CAS DataBase Reference)
化学的性質
化学的特性Magnesium Citrate is a white solid, soluble, formed by reaction of magnesium carbonate and citric acid.
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
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationMagnesium citrate, dibasic: 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.
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
安全データ
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用Citric Acid is a weak organic acid that is known as a commodity chemical, as more than a million tonnes are produced every year by mycological fermentation on an industrial scale using crude sugar solutions, such as molasses and strains of Aspergillus niger. Citric acid is widely distributed in plants and in animal tissues and fluids and exist in greater than grace amounts in variety of fruits and vegetables, most notably in citrus fruits such as lemon and limes. Citric acid is mainly used as an acidifier, flavoring agent and chelating agent. Citric acid is also a metabolite of Dimethyl Fumarate (D464965), a compound used as a treatment for the relapsing forms of multiple sclerosis and psoriasis.
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