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

• ChemBase ID: 128698
• Molecular Formular: C28H58O9
• Molecular Mass: 538.75472
• Monoisotopic Mass: 538.40808344
• SMILES: O(CCOCCOCCCCCCCCCCCC)CCOCCOCCOCCOCCOCCO
• Canonical SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
• InChIKey: YYELLDKEOUKVIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15,18,21,24-octaoxahexatriacontan-1-ol
• IUPAC Traditional name: 3,6,9,12,15,18,21,24-octaoxahexatriacontan-1-ol
• Synonyms: C12E8; Dodecyl octaethylene glycol ether; Dodecyloctaglycol; Polyoxyethylene (8) lauryl ether; Octaethylene glycol monododecyl ether; Dodecyloctaethyleneglycol monoether; 3,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-ol; Octaethylene glycol monododecyl ether; Detergent Screening Solution 22/Fluka kit no 66317; Octaethyleneglycol monododecyl ether solution; Octaethyleneglycol monododecyl ether 1 mM solution

Database IDs

• CAS Number: 3055-98-9
• EC Number: 231-791-2
• MDL Number: MFCD00043234
• Beilstein Number: 1893466
• PubChem SID: 24898996; 162223004; 24879352
• PubChem CID: 123921
• CHEBI ID: 41527
• CHEMBL: 501722
• Chemspider ID: 110452
• Wikipedia Title: Octaethylene_glycol_monododecyl_ether

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 9
• H Donor: 1
• LogD (pH = 5.5): 3.9860673
• LogD (pH = 7.4): 3.9860673
• Log P: 3.9860673
• Molar Refractivity: 147.2909 cm^3
• Polarizability: 58.494606 Å^3
• Polar Surface Area: 94.07 Å^2
• Rotatable Bonds: 34
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Critical Micelle Concentration: 0.11
• Aggregation Number of Micelle: 123

Safety Information

• 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% (GC); ≥98.0% (GC)
• 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
• Mol. Weight: average mol wt 66,000
• Product Line: BioXtra
• Linear Formula: CH3(CH2)11(OCH2CH2)8OH

DETAILS

Sigma Aldrich - 74680

Application
Detergent used for the study of membrane proteins in a native-like state, e.g. ATPase.1,2 Used in a mixed micellar assay for lipoxygenase acting at neutral pH3 and for functional reconstitution of influenza virus envelopes.4

Sigma Aldrich - P8925

Application
Detergent used for the study of membrane proteins in a native-like state, e.g. ATPase.1,2 Used in a mixed micellar assay for lipoxygenase acting at neutral pH3 and for functional reconstitution of influenza virus envelopes.4