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

• ChemBase ID: 156001
• Molecular Formular: C26H54O9
• Molecular Mass: 510.70156
• Monoisotopic Mass: 510.37678331
• SMILES: CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C26H54O9/c1-2-3-4-5-6-7-8-9-11-28-13-15-30-17-19-32-21-23-34-25-26-35-24-22-33-20-18-31-16-14-29-12-10-27/h27H,2-26H2,1H3
• InChIKey: UJMHIOBAHVUDGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15,18,21,24-octaoxatetratriacontan-1-ol
• IUPAC Traditional name: 3,6,9,12,15,18,21,24-octaoxatetratriacontan-1-ol
• Synonyms: C10E8; Decyl octaethylene glycol ether; Decyloctaglycol; Polyoxyethylene (8) decyl ether; Octaethylene glycol monodecyl ether; Detergent Screening Solution 21/Fluka kit no 66317; Octaethyleneglycol monodecyl ether solution; Octaethyleneglycol monodecyl ether 1 mM solution

Database IDs

• CAS Number: 24233-81-6
• EC Number: 231-791-2
• MDL Number: MFCD00043371
• Beilstein Number: 4760288
• PubChem SID: 24886706; 24846073; 162250139
• PubChem CID: 168163

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 9
• H Donor: 1
• LogD (pH = 5.5): 3.0969298
• LogD (pH = 7.4): 3.0969298
• Log P: 3.0969298
• Molar Refractivity: 138.0889 cm^3
• Polarizability: 54.824238 Å^3
• Polar Surface Area: 94.07 Å^2
• Rotatable Bonds: 32
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 1.008 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.457

Safety Information

• RTECS: RH1685500
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

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)9(OCH2CH2)8OH