2-(2-methoxyethoxy)ethan-1-ol

• ChemBase ID: 125241
• Molecular Formular: C5H12O3
• Molecular Mass: 120.14698
• Monoisotopic Mass: 120.07864424
• SMILES: COCCOCCO
• Canonical SMILES: COCCOCCO
• InChI: InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
• InChIKey: SBASXUCJHJRPEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-methoxyethoxy)ethanol
• Synonyms: 3,6-Dioxa-1-heptanol; Diethyleneglycol monomethyl ether; Glycol Ether DM; 2-(2-Methoxyethoxy)ethanol; 2-(2-Methoxyethoxy)ethanol; Methyldiglycol; Diethylene glycol methyl ether; Methyl digol; Diethylene glycol monomethyl ether; Methyl CARBITOL™; 2-(2-甲氧基乙氧基)乙醇; 甲基卡必醇; 二乙二醇甲醚; 甲基二乙二醇; 二乙二醇单甲醚; 甲基卡必醇™

Database IDs

• CAS Number: 111-77-3
• EC Number: 203-906-6
• MDL Number: MFCD00002871
• Beilstein Number: 1697812
• Merck Index: 146037
• PubChem SID: 162219591; 24880998
• PubChem CID: 8134
• Chemspider ID: 13839440
• Wikipedia Title: 2-(2-Methoxyethoxy)ethanol

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6125281
• LogD (pH = 7.4): -0.6125281
• Log P: -0.6125281
• Molar Refractivity: 30.3483 cm^3
• Polarizability: 11.994462 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: water (miscible)
• Apperance: clear viscous liquid
• Melting Point: -69°C; -70 °C(lit.); -70°C
• Boiling Point: 190-194 °C(lit.); 194 °C(lit.); 194°C; 194°C
• Flash Point: 188.6 °F; 83°C(181°F); 87 °C; 96°C (204.8°F)
• Auto Ignition Point: 221 °C; 240°C (464°F)
• Density: 1.010; 1.02; 1.020 g/mL at 20 °C(lit.); 1.023 g/mL at 25 °C(lit.)
• Refractive Index: 1.4260; n20/D 1.426; n20/D 1.426(lit.)
• Vapor Pressure: 0.2 mmHg ( 20 °C)
• Vapor Density: 4.14 (vs air)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: KL6125000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 63
• Safety Statements: 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Signal Word: Warning
• Explode Limits: 1.38-22.7 %
• GHS Hazard statements: H361d; H361-H227
• GHS Precautionary statements: P210-P280-P281-P308+P313-P405-P501A; P281
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99.0%; ≥99.0% (GC); 98%; 99%
• Grade: purum; ReagentPlus®; SAJ first grade
• Linear Formula: CH3OCH2CH2OCH2CH2OH

DETAILS

Sigma Aldrich - 579548

Packaging
1, 4 L in poly bottle
Legal Information
Product of Dow Chemical.
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
CARBITOL is a trademark of The Dow Chemical Company or an affiliated company of Dow