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

• ChemBase ID: 128858
• Molecular Formular: C22H46O6
• Molecular Mass: 406.59704
• Monoisotopic Mass: 406.32943919
• SMILES: O(CCO)CCOCCOCCOCCOCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3
• InChIKey: LAPRIVJANDLWOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15-pentaoxaheptacosan-1-ol
• IUPAC Traditional name: 3,6,9,12,15-pentaoxaheptacosan-1-ol
• Synonyms: Dodecylpentaglycol; Laureth-5; Pentaethylene glycol monododecyl ether; C12E5; Dodecyl pentaethylene glycol ether; Polyoxyethylene (5) lauryl ether; Pentaethylene glycol monododecyl ether

Database IDs

• CAS Number: 3055-95-6
• EC Number: 221-281-8
• MDL Number: MFCD00043064
• Beilstein Number: 1797921
• PubChem SID: 24886992; 162223161
• PubChem CID: 18281
• Chemspider ID: 17268
• Wikipedia Title: Pentaethylene_glycol_monododecyl_ether

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 4.1269937
• LogD (pH = 7.4): 4.1269937
• Log P: 4.1269937
• Molar Refractivity: 114.1604 cm^3
• Polarizability: 45.3376 Å^3
• Polar Surface Area: 66.38 Å^2
• Rotatable Bonds: 25
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Do you have solubility information on this product that you would like to share?
• Density: 0.963 g/mL at 20 °C; 0.963 g/mL at 20 °C(lit.)

Safety Information

• RTECS: SB0333332
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 37/38-41
• Safety Statements: 26-36/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

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
• Product Line: BioXtra
• Linear Formula: CH3(CH2)11(OCH2CH2)5OH

DETAILS

Sigma Aldrich - 76437

Application
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