3,6,9,12,15,18-hexaoxadotriacontan-1-ol

• ChemBase ID: 155872
• Molecular Formular: C26H54O7
• Molecular Mass: 478.70276
• Monoisotopic Mass: 478.38695407
• SMILES: CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C26H54O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-28-17-19-30-21-23-32-25-26-33-24-22-31-20-18-29-16-14-27/h27H,2-26H2,1H3
• InChIKey: CMOAVXMJUDBIST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15,18-hexaoxadotriacontan-1-ol
• IUPAC Traditional name: 3,6,9,12,15,18-hexaoxadotriacontan-1-ol
• Synonyms: C14E6; Tetradecylhexaglycol; Hexaethylene glycol monotetradecyl ether

Database IDs

• CAS Number: 5157-04-0
• EC Number: 225-930-6
• MDL Number: MFCD00043368
• Beilstein Number: 1805220
• PubChem SID: 162250010; 24874140
• PubChem CID: 78833

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 4.9691553
• LogD (pH = 7.4): 4.9691553
• Log P: 4.9691553
• Molar Refractivity: 134.4059 cm^3
• Polarizability: 53.398018 Å^3
• Polar Surface Area: 75.61 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (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)13(OCH2CH2)6OH