2-[2-(2-ethoxyethoxy)ethoxy]ethan-1-ol

• ChemBase ID: 151971
• Molecular Formular: C8H18O4
• Molecular Mass: 178.22612
• Monoisotopic Mass: 178.12050906
• SMILES: CCOCCOCCOCCO
• Canonical SMILES: OCCOCCOCCOCC
• InChI: InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3
• InChIKey: WFSMVVDJSNMRAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-ethoxyethoxy)ethoxy]ethan-1-ol
• IUPAC Traditional name: ethoxytriethylene glycol
• Synonyms: Ethyltriglycol; Tri(ethylene glycol) monoethyl ether; 三甘醇单乙醚; 三(乙二醇)单乙醚

Database IDs

• CAS Number: 112-50-5
• EC Number: 203-978-9
• MDL Number: MFCD00020605
• Beilstein Number: 1700466
• PubChem SID: 24880449; 162246117
• PubChem CID: 8190

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.30269563
• LogD (pH = 7.4): -0.30269566
• Log P: -0.30269563
• Molar Refractivity: 46.1404 cm^3
• Polarizability: 18.2132 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 256 °C(lit.)
• Flash Point: 132 °C; 269.6 °F
• Density: 1.020 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.438; n20/D 1.438(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US), type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥90% (GC)
• Grade: technical; technical grade
• Linear Formula: CH3CH2(OCH2CH2)3OH

DETAILS

Sigma Aldrich - 568554

Packaging
100 mL in poly bottle
2 L in poly bottle