3,6,9,12-tetraoxaicosan-1-ol

• ChemBase编号: 3846
• 分子式: C16H34O5
• 平均质量: 306.43816
• 单一同位素质量: 306.24062419
• SMILES: CCCCCCCCOCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCOCCOCCOCCOCCO
• InChI: InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
• InChIKey: FEOZZFHAVXYAMB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,6,9,12-tetraoxaicosan-1-ol
• IUPAC传统名: 3,6,9,12-tetraoxaeicosan-1-ol
• 别名: C8E4; Octyl tetraethylene glycol ether; Octyltetraglycol; Tetraethylene glycol monooctyl ether; (Hydroxyethyloxy)Tri(Ethyloxy)Octane; TETRAETHYLENE GLYCOL MONOOCTYL ETHER; Detergent Screening Solution 12/Fluka kit no 66317; Tetraethyleneglycol monooctyl ether solution; Tetraethyleneglycol monooctyl ether 1 mM solution

登记号

• CAS号: 19327-39-0
• EC号: 231-791-2
• MDL号: MFCD00043033
• Beilstein号: 1781226
• PubChem SID: 160967283; 24900138; 24848032; 46506525
• PubChem CID: 5414

理论计算性质

JChem

• Acid pKa: 15.121156
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 2.3956945
• LogD (pH = 7.4): 2.3956945
• Log P: 2.3956945
• 摩尔折射率: 84.7129 cm^3
• 极化性: 33.60198 Å^3
• 极化表面积: 57.15 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 2.45
• LOG S: -4.08
• 溶解度: 2.56e-02 g/l

分子性质

理化性质

• 外观: liquid
• 密度: 0.969 g/mL at 20 °C(lit.)
• 折射率: n20/D 1.449

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; R:36/37/38
• 安全公开号: 26-36; S:20-25-26-37/39
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-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
• 产品线: BioXtra
• 线性分子式: CH3(CH2)7(OCH2CH2)4OH

详细说明

MP Biomedicals - 02156786

Clear liquid
Reagent for solubilizing membrane proteins

DrugBank - DB04233

Drug information: experimental

Sigma Aldrich - T3394

Application
Reported to be useful in solubilizing membrane proteins.

Sigma Aldrich - 86698

Other Notes
Non-ionic detergent used in the crystallization of outer membrane proteins from E. coli1

参考文献

• Hayler, J.B. and Zulauf, M., Coll. Polymer Sci. , 260 : 1023, (1982).
• LeMaire, M., et al., Eur. J. Biochem. , 129 : 529, (1983).