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

• ChemBase ID: 132376
• Molecular Formular: C30H62O7
• Molecular Mass: 534.80908
• Monoisotopic Mass: 534.44955432
• SMILES: CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C30H62O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-32-21-23-34-25-27-36-29-30-37-28-26-35-24-22-33-20-18-31/h31H,2-30H2,1H3
• InChIKey: BGTZEQVWUZNMIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15,18-hexaoxahexatriacontan-1-ol
• IUPAC Traditional name: 3,6,9,12,15,18-hexaoxahexatriacontan-1-ol
• Synonyms: C18E6; Octadecylhexaglycol; Polyoxyethylene (6) stearyl ether; Hexaethylene glycol monooctadecyl ether

Database IDs

• CAS Number: 2420-29-3
• MDL Number: MFCD00043370
• PubChem SID: 24898168; 162226653
• PubChem CID: 75493

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 6.7474303
• LogD (pH = 7.4): 6.7474303
• Log P: 6.7474303
• Molar Refractivity: 152.8099 cm^3
• Polarizability: 60.756096 Å^3
• Polar Surface Area: 75.61 Å^2
• Rotatable Bonds: 34
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 45-50 °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)17(OCH2CH2)6OH