1-(4-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}phenyl)-1,4,7,10-tetraoxaundecane

• ChemBase ID: 141969
• Molecular Formular: C20H34O8
• Molecular Mass: 402.47916
• Monoisotopic Mass: 402.22536805
• SMILES: COCCOCCOCCOc1ccc(cc1)OCCOCCOCCOC
• Canonical SMILES: COCCOCCOCCOc1ccc(cc1)OCCOCCOCCOC
• InChI: InChI=1S/C20H34O8/c1-21-7-9-23-11-13-25-15-17-27-19-3-5-20(6-4-19)28-18-16-26-14-12-24-10-8-22-2/h3-6H,7-18H2,1-2H3
• InChIKey: GLFDQJMQVPBQCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}phenyl)-1,4,7,10-tetraoxaundecane
• IUPAC Traditional name: 1-(4-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}phenyl)-1,4,7,10-tetraoxaundecane
• Synonyms: 1,4-Bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)benzene; 1,4-Bis(triethoxymethoxy)benzene; 1,4-Bis(1,4,7,10-tetraoxaundecyl)benzene; 1,4-双(2-(2-(2-甲氧基乙氧基)乙氧基)乙氧基)苯; 1,4-双(三乙氧基甲氧基)苯; 1,4-双(1,4,7,10-四氧杂十一烷基)苯

Database IDs

• CAS Number: 221243-98-7
• MDL Number: MFCD06411341
• PubChem SID: 162236201; 24883328
• PubChem CID: 16217809

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 1.3760502
• LogD (pH = 7.4): 1.3760502
• Log P: 1.3760502
• Molar Refractivity: 105.2454 cm^3
• Polarizability: 41.679623 Å^3
• Polar Surface Area: 73.84 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.1082 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4940(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: 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: 90%
• Linear Formula: [CH3(OCH2CH2)3O]2C6H4

DETAILS

Sigma Aldrich - 644277

Packaging
5 mL in glass bottle