(acetyloxy)calcio acetate hydrate

• ChemBase编号: 130834
• 分子式: C4H8CaO5
• 平均质量: 176.18132
• 单一同位素质量: 175.99976434
• SMILES: CC(=O)O[Ca]OC(=O)C.O
• Canonical SMILES: CC(=O)O[Ca]OC(=O)C.O
• InChI: InChI=1S/2C2H4O2.Ca.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2
• InChIKey: XQKKWWCELHKGKB-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: (acetyloxy)calcio acetate hydrate
• IUPAC传统名: (acetyloxy)calcio acetate hydrate
• 别名: 乙酸钙 一水合物; 乙酸钙 水合物; Calcium acetate monohydrate; Calcium acetate hydrate

登记号

• CAS号: 5743-26-0; 114460-21-8
• EC号: 200-540-9
• MDL号: MFCD00150019
• Beilstein号: 3692527
• PubChem SID: 24855036; 24852641; 24892291; 24852644; 24863706; 24892715; 24865127; 162225112
• PubChem CID: 517438
• FEMA编号: 2228

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.6134
• LogD (pH = 7.4): -0.6134
• Log P: -0.6134
• 摩尔折射率: 23.4322 cm^3
• 极化性: 12.548758 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble1 M at 20 °C, clear, colorless
• 外观: powder; white powder
• 紫外吸收波长: λ: 260 nm Amax: 0.090; λ: 280 nm Amax: 0.070
• pH值: 7.0-8.0 (25 °C, 50 mg/mL in H2O); 7.0-8.5 (25 °C, 1 M in H2O); 7-9.0 (20 °C, 10%)

安全信息

• RTECS编号: AF7525000; AF7875000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/37/38
• 安全公开号: 26; 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥90% (KT); ≥99% (titration); ≥99.0%; ≥99.0% (calc. on dried material, KT); 98.0-102.0%; 99%; 99.0-100.5% (based on anhydrous substance); 99.99% trace metals basis
• 级别: ACS reagent; JIS special grade; puriss.; purum p.a.; SAJ first grade
• 杂质: <1% acetic acid; ≤0.0005% Phosphorus (P); ≤0.001% heavy metals (as Pb); ≤0.005% insolubles; ≤0.035 meq/g Titr. acid; ≤0.1% formic acid, formiates and impurities (HCOOH); ≤0.1% Insoluble matter; ≤0.1% KMnO4 red. matter (as HCOOH); ≤0.3% in water insoluble matters; ≤7% water (Karl Fischer); ≤7.0% water (Karl Fischer); insoluble matter, passes filter test
• 痕量阳离子: Al: ≤0.0005%; As: ≤0.1 mg/kg; As: ≤1 mg/kg; Ba: ≤0.01%; Ba: ≤20 mg/kg; Bi: ≤5 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤10 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤0.001%; Fe: ≤20 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.005%; Hg: ≤1 mg/kg; K: ≤0.01%; K: ≤100 mg/kg; K: ≤200 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.05%; Mg: ≤0.1%; Mg: ≤1000 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.02%; Na: ≤0.05%; Na: ≤150 mg/kg; Na: ≤200 mg/kg; NH4+: ≤0.1%; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤2 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤0.05%; Sr: ≤200 mg/kg; Zn: ≤0.001%; Zn: ≤10 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• 痕量阴离子: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤0.05%; chloride (Cl-): ≤300 mg/kg; chloride (Cl-): ≤50 mg/kg; fluoride (F-): ≤50 mg/kg; sulfate (SO42-): ≤0.01%; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤200 mg/kg; sulfate (SO42-): ≤500 mg/kg
• 干燥失重: ≤10% loss on drying, 200 °C
• 品质说明: meets analytical specification of FCC, E263
• λ: 1 M in H2O
• 产品线: BioUltra
• 碱度: passes test
• 线性分子式: (CH3COO)2Ca · xH2O; Ca(CH3CO2)2 · H2O

详细说明

Sigma Aldrich - 21056

Other Notes
Isolation of plasma membranes from HeLa cells1; Salt of choice in aequorin bioluminescence assay2; Protein precipitant in the manufacture of sunflower protein3; Alleviates defoliation and fruit drop induced by Ethephon in Citrus reticulata4

Sigma Aldrich - 227633

包装
5 g in glass bottle

Sigma Aldrich - 402850

包装
100, 500 g in poly bottle

Sigma Aldrich - 379964

包装
5, 25 g in poly bottle

Sigma Aldrich - C1000

包装
100, 500 g in poly bottle
2.5 kg in poly drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC