2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethan-1-ol

• ChemBase ID: 2304
• Molecular Formular: C8H18O5
• Molecular Mass: 194.22552
• Monoisotopic Mass: 194.11542368
• SMILES: OCCOCCOCCOCCO
• Canonical SMILES: OCCOCCOCCOCCO
• InChI: InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
• InChIKey: UWHCKJMYHZGTIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethan-1-ol
• IUPAC Traditional name: tetraethylene glycol
• Synonyms: Tetraethylene Glycol; 2,2'-(oxybis(ethyleneoxy)) diethanol; Tetraethylene glycol; TETRAGLYCOL; Bis[2-(2-hydroxyethoxy)ethyl] ether; Tetra(ethylene glycol); Tetraglycol; Tetraethylene glycol; 2,2'-((Oxybis(ethane-2,1-diyl))bis(oxy))diethanol; 双[2-(2-羟基乙氧基)乙基]醚; 四(乙二醇); 四甘醇; 三缩四乙二醇; 四甘醇/三缩四乙二醇

Database IDs

• CAS Number: 112-60-7
• EC Number: 203-989-9
• MDL Number: MFCD00002879
• Beilstein Number: 1634320
• PubChem SID: 24888420; 24846965; 160965756
• PubChem CID: 8200

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.820126
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.3496056
• LogD (pH = 7.4): -1.3496057
• Log P: -1.3496056
• Molar Refractivity: 47.6841 cm^3
• Polarizability: 18.89041 Å^3
• Polar Surface Area: 68.15 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.98
• LOG S: -0.26
• Solubility (Water): 1.06e+02 g/l

PROPERTIES

Physical Property

• Melting Point: -4°C; -5.6 °C(lit.); -6°C
• Boiling Point: 313-314°C; 314 °C(lit.); 314°C
• Flash Point: 176°C; 193°C(379°F); 204 °C; 399.2 °F
• Density: 1.09 g.ml; 1.125; 1.125 g/mL at 25 °C(lit.)
• Refractive Index: 1.4590; n20/D 1.459(lit.); n20/D 1.460
• Vapor Pressure: <0.01 mmHg; 0.001 mm Hg at 20 °C
• Vapor Density: 6.7 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: XC2100000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥97.0% (GC); ≥99.0% (GC); 98%; 99%
• Grade: puriss.; purum
• Impurities: ≤0.1% water; ≤0.5% water
• Mol. Weight: average Mn 200
• Linear Formula: HO(CH2CH2O)3CH2CH2OH

DETAILS

MP Biomedicals - 02156795

1 ml = approx. 1.09 g

DrugBank - DB02575

Drug information: experimental

Sigma Aldrich - 110175

Caution
Do not confuse with glycofurol, which is also sometimes called tetraglycol.
Packaging
1, 3 kg in poly bottle
100 g in poly bottle
20 kg in steel drum

Sigma Aldrich - 86662

Caution
Do not confuse with glycofurol, which is also sometimes called tetraglycol.

Sigma Aldrich - 86660

Caution
Do not confuse with glycofurol, which is also sometimes called tetraglycol.