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

• ChemBase ID: 145103
• Molecular Formular: C7H16O4
• Molecular Mass: 164.19954
• Monoisotopic Mass: 164.10485899
• SMILES: COCCOCCOCCO
• Canonical SMILES: COCCOCCOCCO
• InChI: InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
• InChIKey: JLGLQAWTXXGVEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-methoxyethoxy)ethoxy]ethan-1-ol
• IUPAC Traditional name: methoxy triethylene glycol
• Synonyms: Methyltriglycol; Triethylene glycol monomethyl ether; 2-[2-(2-methoxyethoxy)ethoxy]ethan-1-ol; 甲基三甘醇; 三乙二醇单甲醚

Database IDs

• CAS Number: 112-35-6
• EC Number: 203-962-1
• MDL Number: MFCD00002875
• Beilstein Number: 1700198
• PubChem SID: 162239313; 24859069
• PubChem CID: 8178

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6595036
• LogD (pH = 7.4): -0.6595036
• Log P: -0.6595036
• Molar Refractivity: 41.3918 cm^3
• Polarizability: 16.387413 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 122 °C/10 mmHg(lit.)
• Flash Point: 118 °C; 244.4 °F
• Density: 1.026 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.439; n20/D 1.439(lit.)
• Vapor Pressure: <0.01 mmHg ( 20 °C)
• Vapor Density: 5.66 (vs air)
• Hydrophobicity(logP): -0.618

Safety Information

• RTECS: KL6390000
• German water hazard class: 3
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥97.0% (GC); 95%
• Grade: purum
• Description: non-ionic
• Impurities: ~2% corresponding tetraethylene glycol ethers; ~2% each of the corresponding diethylene glycol methyl ether
• Linear Formula: CH3(OCH2CH2)3OH

DETAILS

Sigma Aldrich - 317292

Packaging
2 L in poly bottle
25, 500 mL in poly bottle