基本情報
- CAS
31142-56-0- 標準SMILES
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Al+3]- InChIKey
ZUGAOYSWHHGDJY-UHFFFAOYSA-K- 分子式
- C6H5AlO7
- 平均分子量
- 216.08 g/mol
- 単同位体質量
- 215.9850659
名称と識別子
- 優先名称
- Aluminum Citrate
- IUPAC
- aluminum 2-hydroxypropane-1,2,3-tricarboxylate
- 現地名
- くえん酸アルミニウム
- 英語名
- ALUMINUM CITRATE
- 分子式
- C6H11AlO7
- 分子量
- 222.13
名称と別名
Aluminum citrate31142-56-0Citric acid, aluminum saltCitric acid, aluminum salt (1:1)IJ623779BARefChem:556611250-484-4Aluminium citrateALUMINUMCITRATE813-92-3aluminum;2-hydroxypropane-1,2,3-tricarboxylatealuminium(3+) ion 2-hydroxypropane-1,2,3-tricarboxylate
名称をさらに表示
くえん酸アルミニウム2-ヒドロキシ-1,2,3-プロパントリカルボン酸/アルミニウムAluminiumcitratAlminium citratealuminiumcitrateAluminum citrate ,96%Citricacid,aluminumsaltAluminum2-hydroxy-1,2,3-propanetricarboxylatealuminum,2-hydroxypropane-1,2,3-tricarboxylate2,3-propanetricarboxylicacid,2-hydroxy-aluminumsalt
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, aluminum salt (1:1)EINECS 250-484-4Aluminum 2-hydroxy-1,2,3-propanetricarboxylateAluminum citrate (1:1)UNII-IJ623779BA1,2,3-Propanetricarboxylic acid, 2-hydroxy-, aluminum saltSCHEMBL2168572-Hydroxy-1,2,3-propanetricarboxylic acid aluminum salt (1:1)
データベース識別子
- CAS
31142-56-0、813-92-3- PubChem CID
- 91599
- UNII
- IJ623779BA
- EC Number
- 250-484-4、838-771-8
- Nikkaji
- J400.530I
物性
構造計算による物性
- 極性表面積
- 141 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 2
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 211
実験および物理化学的性質
Chemical ClassesMetals -> Metals, Inorganic Compounds
Cosmetics
Cosmetic ingredients (Aluminum Citrate) -> CIR (Cosmetic Ingredient Review)
Deodorant; Astringent; Antiperspirant
物理化学的性質
- 水溶解度
- 6 · 冷水、可溶熱水、アンモニアにゆっくりと溶解 [MER06]
- InChI
- InChI=1S/C6H8O7.Al.3H/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
- VBEYMSVFPLOCMI-UHFFFAOYSA-N
- SMILES
- C(O)(C(=O)O)(CC(=O)O)CC(=O)O.[AlH3]
化学的性質
化学的特性white powder(s) or scales; study of complex formation in [LOP84] [MER06]
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Regulatory Information1,2,3-Propanetricarboxylic acid, 2-hydroxy-, aluminum salt (1:1): 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.
Hazards SummaryCauses other liver changes in 1-year oral study of rabbits; [RTECS] Flammable; May cause irritation; [MP Biomedicals MSDS]
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
毒性情報
Toxicity SummarySafe 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
安全データ
- wgk
- WGK 3
- risk_code
- 22-36/38-48/22
- hazard_code
- Xn
- safety_code
化学と産業
用途と製造
UsesCIR ingredient: Aluminum Citrate
Use ClassificationCosmetics -> Deodorant; Astringent; Antiperspirant
サプライヤー75 社
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河南英田生物科技有限公司0370-4053511; 18339993703 · [email protected]
山东鑫恒诚化工有限公司18660169893 · [email protected]
関連反応
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化合物ノート
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