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

• ChemBase ID: 155426
• Molecular Formular: C18H38O5
• Molecular Mass: 334.49132
• Monoisotopic Mass: 334.27192432
• SMILES: CCCCCCCCCCOCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCOCCOCCOCCOCCO
• InChI: InChI=1S/C18H38O5/c1-2-3-4-5-6-7-8-9-11-20-13-15-22-17-18-23-16-14-21-12-10-19/h19H,2-18H2,1H3
• InChIKey: ASMWIUUCZFNLHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12-tetraoxadocosan-1-ol
• IUPAC Traditional name: 3,6,9,12-tetraoxadocosan-1-ol
• Synonyms: Detergent Screening Solution 13/Fluka kit no 66317; Tetraethyleneglycol monodecyl ether solution; Tetraethyleneglycol monodecyl ether 1 mM solution; C10E4; Decyl tetraethylene glycol ether; Decyltetraglycol; Tetraethylene glycol monodecyl ether

Database IDs

• CAS Number: 5703-94-6
• EC Number: 231-791-2
• MDL Number: MFCD00043359
• Beilstein Number: 4247848
• PubChem SID: 162249564; 24846121; 24898850
• PubChem CID: 526715

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.284832
• LogD (pH = 7.4): 3.284832
• Log P: 3.284832
• Molar Refractivity: 93.9149 cm^3
• Polarizability: 37.277203 Å^3
• Polar Surface Area: 57.15 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 288-290 °C(lit.)
• Density: 0.96 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.451

Safety Information

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

Product Information

• Purity: ~97% (GC); ≥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
• Linear Formula: CH3(CH2)9(OCH2CH2)4OH

DETAILS

Sigma Aldrich - 86693

Other Notes
Non-ionic surfactant. Has been used to study the sodium current of the squid giant axon1