sodium benzoate

• ChemBase编号: 102268
• 分子式: C7H5NaO2
• 平均质量: 144.10317
• 单一同位素质量: 144.01872368
• SMILES: [Na+].[O-]C(=O)c1ccccc1
• Canonical SMILES: [O-]C(=O)c1ccccc1.[Na+]
• InChI: InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
• InChIKey: WXMKPNITSTVMEF-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium benzoate
• IUPAC传统名: sodium benzoate; potassium benzoate
• 别名: 苯甲酸钠; 苯甲酸 钠盐; 苯甲酸钠; Natrii benzoas; Benzoic acid sodium salt; E211, benzoate of soda; Sodium benzoate; Carboxybenzene sodium salt; Sodium Benzoate; Antimol; Sobenate; BENZOIC ACID SODIUM SALT; Sodium benzoate; BENZOTRON™

登记号

• CAS号: 532-32-1
• EC号: 208-534-8
• MDL号: MFCD00012463
• Beilstein号: 3572467
• 默克索引号: 148582
• PubChem SID: 24850911; 24901435; 162088062; 24891719; 24871518; 24846890; 24886163
• PubChem CID: 517055
• CHEMBL: 1356
• Chemspider ID: 10305
• FEMA编号: 3025
• 美国药典/FDA物质标识码: OJ245FE5EU
• 维基百科标题: Sodium_benzoate
• E编码: E211

理论计算性质

• Acid pKa: 4.0752335
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.19342963
• LogD (pH = 7.4): -1.4835135
• Log P: 1.6308287
• 摩尔折射率: 44.1513 cm^3
• 极化性: 12.569108 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 1
• 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; H2O: soluble1 M, clear, colorless; soluble in ethanol; soluble in water; Soluble in water, alcohol
• 外观: powder; white or colorless crystalline powder
• 熔点: >300 °C(lit.); >300°C; 300°C; 410 - 430 °C
• 闪点: > 100 °C (closed cup and DIN 51758); >100 °C; >212 °F; 100 °C
• 自燃点: 500 °C
• 密度: 1.44 g/cm^3; 1.497 g/cm^3
• 蒸汽压: Zero (does not form a vapor)
• pKa: 4.202
• 气味: odorless
• pH值: 7.0-8.5 (25 °C, 1 M in H2O)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: DH6650000
• 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; 36/38; R:36/37/38
• 安全公开号: 26; 26-37; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• NFPA704:
  

  1

  2

  0
• 半数致死量: 4100 mg/kg (oral, rat)
• GHS危险声明: H315-H319-H303; H319
• GHS警示性声明: P280-P305+P351+P338-P302+P352-P321-P362-P312; P305 + P351 + P338
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (150.141); FDA 21 CFR (150.161); FDA 21 CFR (166.110); FDA 21 CFR (181.23)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥99%; ≥98.5%; ≥99%; ≥99.0%; ≥99.0% (NT); ≥99.5% (NT); 99%; 99.0-100.5% (calc. to the dried substance)
• 级别: analytical standard; FG; Halal; Kosher; NI; Ph Eur; puriss.; purum p.a.; ReagentPlus®; SAJ first grade; SAJ special grade
• 包装: ampule of 1000 mg
• 适用性: complies for appearance of solution
• 杂质: ≤0.0005% Phosphorus (P); ≤0.001% heavy metals (as Pb); ≤0.03% halogenated compounds (as Cl); ≤0.1% Insoluble matter; acidity or alkalinity, complies; insoluble matter, passes filter test; oxidizable impurities, complies; residual solvents, complies
• 痕量阳离子: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; As: ≤2 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.01%; Ca: ≤10 mg/kg; Ca: ≤50 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: ≤5 mg/kg; Fe: ≤50 mg/kg; Hg: ≤1 mg/kg; K: ≤0.05%; K: ≤200 mg/kg; K: ≤2000 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤2 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤10 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• 痕量阴离子: chloride (Cl-): ≤0.05%; chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• 干燥失重: ≤0.5% loss on drying, 20 °C (HV); ≤1% loss on drying, 105 °C
• 品质说明: meets analytical specification of Ph. Eur., BP, FCC, E211
• 药典: testing & handling conforms to Pharmacopeia
• 产品线: BioUltra
• abs.: absorption1M/295 nm, H2O cut-off
• 线性分子式: C6H5COONa

详细说明

MP Biomedicals - 02100909

Sodium Salt
Crystalline
Purity: 99+%

Sigma Aldrich - 71295

Other Notes
Preservative mostly for food products. The effect is best exhibited in slightly acidic media, no effect in basic media1; Exhibits fungicidal activity in pharmaceutical preparations2,3

Sigma Aldrich - W302503

包装
1 kg in poly bottle
1 sample in glass bottle
10, 25 kg in fiber drum

Sigma Aldrich - 109169

包装
1 kg in poly bottle
3kg 开口塑料桶包装；25g、1kg 塑料瓶包装
25 g in poly bottle
3 kg in poly drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 18106

法律信息
BENZOTRON 商标 Sigma-Aldrich Co. LLC