3,6,9,12,15-pentaoxanonacosan-1-ol

• ChemBase ID: 158047
• Molecular Formular: C24H50O6
• Molecular Mass: 434.6502
• Monoisotopic Mass: 434.36073932
• SMILES: CCCCCCCCCCCCCCOCCOCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCCCCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C24H50O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-26-17-19-28-21-23-30-24-22-29-20-18-27-16-14-25/h25H,2-24H2,1H3
• InChIKey: KXGOCXPKKMVOSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15-pentaoxanonacosan-1-ol
• IUPAC Traditional name: 3,6,9,12,15-pentaoxanonacosan-1-ol
• Synonyms: C14E5; Polyoxyethylene (5) myristyl ether; Tetradecyl pentaethylene glycol ether; Tetradecylpentaglycol; Pentaethylene glycol monotetradecyl ether

Database IDs

• CAS Number: 92669-01-7
• MDL Number: MFCD00043364
• PubChem SID: 24886996; 162252183
• PubChem CID: 14973992

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 5.016131
• LogD (pH = 7.4): 5.016131
• Log P: 5.016131
• Molar Refractivity: 123.3624 cm^3
• Polarizability: 49.0158 Å^3
• Polar Surface Area: 66.38 Å^2
• Rotatable Bonds: 27
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 32-33 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

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)5OH