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

• ChemBase ID: 156040
• Molecular Formular: C16H34O4
• Molecular Mass: 290.43876
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(decyloxy)ethoxy]ethoxy}ethan-1-ol
• IUPAC Traditional name: 2-{2-[2-(decyloxy)ethoxy]ethoxy}ethanol
• Synonyms: 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

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3318074
• LogD (pH = 7.4): 3.3318074
• Log P: 3.3318074
• Molar Refractivity: 82.8714 cm^3
• Polarizability: 32.89506 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.936 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.449

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (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)9(OCH2CH2)3OH

DETAILS

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