(propanoyloxy)calcio propanoate

• ChemBase编号: 102888
• 分子式: C6H10CaO4
• 平均质量: 186.2192
• 单一同位素质量: 186.02049978
• SMILES: CCC(=O)O[Ca]OC(=O)CC
• Canonical SMILES: CCC(=O)O[Ca]OC(=O)CC
• InChI: InChI=1S/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
• InChIKey: BCZXFFBUYPCTSJ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: (propanoyloxy)calcio propanoate
• IUPAC传统名: calcium propionate
• 别名: 丙酸 钙盐; 丙酸钙; Calcium propionate; PROPIONIC ACID HEMICALCIUM SALT; Propionic acid calcium salt; Calcium propionate

登记号

• CAS号: 4075-81-4
• EC号: 223-795-8
• MDL号: MFCD00036137
• Beilstein号: 3698682
• PubChem SID: 162088301; 24852728; 24850908
• PubChem CID: 2734981

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.643
• LogD (pH = 7.4): 0.643
• Log P: 0.643
• 摩尔折射率: 32.686 cm^3
• 极化性: 16.136068 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 密度: ca. 400 kg/m3 (bulk density)
• 蒸汽压: Zero (does not form vapor)
• pH值: 7.5-9.0 (20 °C, 10%); 7-9 (20 °C, 10%)

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• RTECS编号: UE8450000
• 德国WGK号: 2
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥97.0% (dry substance, NT); 99.0-100.5% (in dried substance)
• 杂质: ≤0.2% water insolubles; ≤10 mg/kg heavy metal (as Pb); ≤5.0% water (Karl Fischer); ≤6% water
• 痕量阳离子: As: ≤3 mg/kg; Cu: ≤25 mg/kg; Fe: ≤30 mg/kg; Hg: ≤1 mg/kg; Pb: ≤2 mg/kg; Zn: ≤25 mg/kg
• 痕量阴离子: fluoride (F-): ≤10 mg/kg
• 干燥失重: ≤4% loss on drying, 105 °C, 4 h
• 品质说明: meets analytical specification of E 282
• 线性分子式: (CH3CH2COO)2Ca

详细说明

MP Biomedicals - 02104987

Crystalline
Hemicalcium Salt
Antifungal agent

Sigma Aldrich - 21230

包装
1 kg in poly bottle
250 g in poly bottle

Sigma Aldrich - 18104

包装
1 kg in poly bottle