2-{2-[2-(decyloxy)ethoxy]ethoxy}ethan-1-ol

• ChemBase编号: 156040
• 分子式: C16H34O4
• 平均质量: 290.43876
• 单一同位素质量: 290.24570957
• SMILES: CCCCCCCCCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCOCCOCCOCCO
• InChI: InChI=1S/C16H34O4/c1-2-3-4-5-6-7-8-9-11-18-13-15-20-16-14-19-12-10-17/h17H,2-16H2,1H3
• InChIKey: UKODLHVFJRCQME-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{2-[2-(decyloxy)ethoxy]ethoxy}ethan-1-ol
• IUPAC传统名: 2-{2-[2-(decyloxy)ethoxy]ethoxy}ethanol
• 别名: C10E3; Decyl triethylene glycol ether; Decyltriglycol; Polyoxyethylene (3) decyl ether; Triethylene glycol monodecyl ether; Detergent Screening Solution 10/Fluka kit no 66317; Triethyleneglycol monodecyl ether solution; Triethyleneglycol monodecyl ether 1 mM solution

登记号

• CAS号: 4669-23-2
• EC号: 231-791-2
• MDL号: MFCD00043355
• Beilstein号: 1908434
• PubChem SID: 24866261; 24889368; 162250178
• PubChem CID: 526723

理论计算性质

• Acid pKa: 15.121156
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.3318074
• LogD (pH = 7.4): 3.3318074
• Log P: 3.3318074
• 摩尔折射率: 82.8714 cm^3
• 极化性: 32.89506 Å^3
• 极化表面积: 47.92 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: true

分子性质

理化性质

• 密度: 0.936 g/mL at 20 °C(lit.)
• 折射率: n20/D 1.449

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (GC)
• 简要说明: non-ionic
• 痕量阳离子: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cr: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤50 mg/kg; Mg: ≤50 mg/kg; Mn: ≤50 mg/kg; Na: ≤50 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• 产品线: BioXtra
• 线性分子式: CH3(CH2)9(OCH2CH2)3OH

详细说明

Sigma Aldrich - 90446

Other Notes
Non-ionic surfactant. Has been used to study the sodium current of the squid giant axon1; Effectively releases histamine from the cell granules of rat peritoneal mast cells2