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

• ChemBase编号: 130958
• 分子式: C18H38O4
• 平均质量: 318.49192
• 单一同位素质量: 318.2770097
• SMILES: CCCCCCCCCCCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCCCOCCOCCOCCO
• InChI: InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3
• InChIKey: FKMHSNTVILORFA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethan-1-ol
• IUPAC传统名: 2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethanol
• 别名: C12E3; Dodecyl triethylene glycol ether; Dodecyltriglycol; Polyoxyethylene (3) lauryl ether; Triethylene glycol monododecyl ether; Detergent Screening Solution 11/Fluka kit no 66317; Triethyleneglycol monododecyl ether solution; Triethyleneglycol monododecyl ether 1 mM solution

登记号

• CAS号: 3055-94-5
• EC号: 221-280-2; 231-791-2
• MDL号: MFCD00042659
• Beilstein号: 1779029
• PubChem SID: 24846122; 24898946; 162225236
• PubChem CID: 76458

理论计算性质

• Acid pKa: 15.121156
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 4.220945
• LogD (pH = 7.4): 4.220945
• Log P: 4.220945
• 摩尔折射率: 92.0734 cm^3
• 极化性: 36.57614 Å^3
• 极化表面积: 47.92 Å^2
• 可自由旋转的化学键: 19
• 里宾斯基五规则: true

分子性质

理化性质

• 密度: 0.927 g/mL at 20 °C(lit.)
• 折射率: n20/D 1.451

安全信息

• RTECS编号: KK7870000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2; 3
• 危险公开号: 36
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (GC); ≥98.0% (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
• 线性分子式: CH3(CH2)11(OCH2CH2)3OH

详细说明

Sigma Aldrich - 90447

Other Notes
Non-ionic surfactant. In studies of membrane lipid composition in Acholeplasma laidlawii1