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

• ChemBase ID: 132084
• Molecular Formular: C34H70O9
• Molecular Mass: 622.9142
• Monoisotopic Mass: 622.50198382
• SMILES: CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C34H70O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-36-21-23-38-25-27-40-29-31-42-33-34-43-32-30-41-28-26-39-24-22-37-20-18-35/h35H,2-34H2,1H3
• InChIKey: WPXCYCTVMORDCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15,18,21,24-octaoxadotetracontan-1-ol
• IUPAC Traditional name: 3,6,9,12,15,18,21,24-octaoxadotetracontan-1-ol
• Synonyms: C18E8; Octadecyl octaethylene glycol ether; Octadecyloctaglycol; Polyoxyethylene (8) stearyl ether; Octaethylene glycol monooctadecyl ether; Myrj 45; Polyoxyethylene (8) stearate

Database IDs

• CAS Number: 13149-87-6; 9004-99-3
• MDL Number: MFCD00043374
• PubChem SID: 162226361; 24886708
• PubChem CID: 25743

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 9
• H Donor: 1
• LogD (pH = 5.5): 6.653479
• LogD (pH = 7.4): 6.653479
• Log P: 6.653479
• Molar Refractivity: 174.8969 cm^3
• Polarizability: 69.51887 Å^3
• Polar Surface Area: 94.07 Å^2
• Rotatable Bonds: 40
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 47-49 °C

Safety Information

• RTECS: MD0907300
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (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
• Product Line: BioXtra
• Linear Formula: CH3(CH2)17(OCH2CH2)8OH