1,52-dihydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxadohexacontan-62-oic acid

• ChemBase编号: 154739
• 分子式: C47H94O19
• 平均质量: 963.23786
• 单一同位素质量: 962.63893079
• SMILES: C(CCCCC(CCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O)CCCCC(=O)O
• Canonical SMILES: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCC(CCCCCCCCCC(=O)O)O
• InChI: InChI=1S/C47H94O19/c48-15-17-53-19-21-55-23-25-57-27-29-59-31-33-61-35-37-63-39-41-65-43-45-66-44-42-64-40-38-62-36-34-60-32-30-58-28-26-56-24-22-54-20-18-52-16-11-7-6-9-13-46(49)12-8-4-2-1-3-5-10-14-47(50)51/h46,48-49H,1-45H2,(H,50,51)
• InChIKey: CYAMZYIUAHNTBO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,52-dihydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxadohexacontan-62-oic acid
• IUPAC传统名: 1,52-dihydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxadohexacontan-62-oic acid
• 别名: Macrogol (15)-hydroxystearate; Polyethylene glycol (15)-hydroxystearate; Polyoxyethylated 12-hydroxystearic acid; Solutol® HS 15; Kolliphor® HS 15

登记号

• CAS号: 70142-34-6
• PubChem SID: 162248877
• PubChem CID: 71311956

理论计算性质

• Acid pKa: 4.9520197
• 质子受体: 19
• 质子供体: 3
• LogD (pH = 5.5): 2.517316
• LogD (pH = 7.4): 0.7581811
• Log P: 3.1731217
• 摩尔折射率: 250.9353 cm^3
• 极化性: 99.63954 Å^3
• 极化表面积: 216.21 Å^2
• 可自由旋转的化学键: 61
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 272 °C; 521.6 °F
• pH值: 5.0-7.0 (1 g/10 mL in H2O)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 43
• 安全公开号: 24-37
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H317
• GHS警示性声明: P280

产品相关信息

• 主要成分: free macrogoly, 27.0-39.0%
• 燃烧残渣: ≤0.3%
• 杂质: <10 ppm heavy metals; ≤0.50% water; ≤1 ppm ethylene oxide; ≤1 ppm nickel; ≤10 ppm dioxan; ≤5000 ppm acetic acid; ≤620 ppm diethylene glycol; ≤620 ppm ethylene glycol
• 酸值: ≤1.0 mg KOH/g
• 碘值: ≤2.0 g I2/100 g
• 皂化值: 53-63 mg KOH/g
• 羟基值: 90-110 mg KOH/g
• 过氧化物值: ≤3.0 meq/kg

详细说明

Sigma Aldrich - 42966

Application
Non-ionic solubilizer and emulsifier. Used in paste form by the pharma industry in human and veterinary injection formulations.
Other Notes
Kolliphor HS 15 is a non-ionic detergent obtained by reacting 15 moles of ethylene oxide with 1 mole of 12-hydroxy stearic acid.
法律信息
Kolliphor is a registered trademark of BASF
Solutol is a registered trademark of BASF SE