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

• ChemBase ID: 133364
• Molecular Formular: C30H62O9
• Molecular Mass: 566.80788
• Monoisotopic Mass: 566.43938356
• SMILES: CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C30H62O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-32-17-19-34-21-23-36-25-27-38-29-30-39-28-26-37-24-22-35-20-18-33-16-14-31/h31H,2-30H2,1H3
• InChIKey: NHHAZFYVKWSFIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15,18,21,24-octaoxaoctatriacontan-1-ol
• IUPAC Traditional name: 3,6,9,12,15,18,21,24-octaoxaoctatriacontan-1-ol
• Synonyms: C14E8; Polyoxyethylene (8) myristyl ether; Tetradecyl octaethylene glycol ether; Tetradecyloctaglycol; Octaethylene glycol monotetradecyl ether

Database IDs

• CAS Number: 27847-86-5
• MDL Number: MFCD00043372
• Beilstein Number: 5996901
• PubChem SID: 24886709; 162227641
• PubChem CID: 4445979

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 9
• H Donor: 1
• LogD (pH = 5.5): 4.8752046
• LogD (pH = 7.4): 4.8752046
• Log P: 4.8752046
• Molar Refractivity: 156.4929 cm^3
• Polarizability: 62.16739 Å^3
• Polar Surface Area: 94.07 Å^2
• Rotatable Bonds: 36
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 38-39 °C

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% (TLC)
• 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)13(OCH2CH2)8OH