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

• ChemBase ID: 131620
• Molecular Formular: C14H30O4
• Molecular Mass: 262.3856
• Monoisotopic Mass: 262.21440944
• SMILES: CCCCCCCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCOCCOCCOCCO
• InChI: InChI=1S/C14H30O4/c1-2-3-4-5-6-7-9-16-11-13-18-14-12-17-10-8-15/h15H,2-14H2,1H3
• InChIKey: XIVLVYLYOMHUGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(octyloxy)ethoxy]ethoxy}ethan-1-ol
• IUPAC Traditional name: 2-{2-[2-(octyloxy)ethoxy]ethoxy}ethanol
• Synonyms: C8E3; Octyl triethylene glycol ether; Octyltriglycol; Triethylene glycol monooctyl ether; Detergent Screening Solution 09/Fluka kit no 66317; Triethylene glycol monooctyl ether solution; Triethyleneglycol monooctyl ether 1 mM solution

Database IDs

• CAS Number: 19327-38-9
• EC Number: 231-791-2
• MDL Number: MFCD00043034
• Beilstein Number: 1765631
• PubChem SID: 24866536; 162225897; 24889369
• PubChem CID: 2723692

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.44267
• LogD (pH = 7.4): 2.44267
• Log P: 2.44267
• Molar Refractivity: 73.6694 cm^3
• Polarizability: 29.216831 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.948 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.445

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC)
• Description: non-ionic
• Cation Traces: 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
• Product Line: BioXtra
• Linear Formula: CH3(CH2)7(OCH2CH2)3OH

DETAILS

Sigma Aldrich - T3769

Application
Useful in solubilizing membrane proteins.

Sigma Aldrich - 90455

Other Notes
Useful for solubilising membrane proteins1