3,6,9,12,15,18,21,24-octaoxatetracontan-1-ol

• ChemBase ID: 153537
• Molecular Formular: C32H66O9
• Molecular Mass: 594.86104
• Monoisotopic Mass: 594.47068369
• SMILES: CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C32H66O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-34-19-21-36-23-25-38-27-29-40-31-32-41-30-28-39-26-24-37-22-20-35-18-16-33/h33H,2-32H2,1H3
• InChIKey: YAMTWWUZRPSEMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15,18,21,24-octaoxatetracontan-1-ol
• IUPAC Traditional name: 3,6,9,12,15,18,21,24-octaoxatetracontan-1-ol
• Synonyms: C16E8; Hexadecyl octaethylene glycol ether; Hexadecyloctaglycol; Octaethylene glycol monohexadecyl ether

Database IDs

• CAS Number: 5698-39-5
• MDL Number: MFCD00043373
• Beilstein Number: 6490568
• PubChem SID: 24886707; 162247676
• PubChem CID: 3625611

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 9
• H Donor: 1
• LogD (pH = 5.5): 5.764342
• LogD (pH = 7.4): 5.764342
• Log P: 5.764342
• Molar Refractivity: 165.6949 cm^3
• Polarizability: 65.84224 Å^3
• Polar Surface Area: 94.07 Å^2
• Rotatable Bonds: 38
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 43-45 °C

Safety Information

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

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)15(OCH2CH2)8OH