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

• ChemBase ID: 150593
• Molecular Formular: C6H12O3
• Molecular Mass: 132.15768
• Monoisotopic Mass: 132.07864424
• SMILES: C=COCCOCCO
• Canonical SMILES: OCCOCCOC=C
• InChI: InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2
• InChIKey: WULAHPYSGCVQHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(ethenyloxy)ethoxy]ethan-1-ol
• IUPAC Traditional name: 2-[2-(ethenyloxy)ethoxy]ethanol
• Synonyms: Di(ethylene glycol) vinyl ether; 二乙二醇单乙烯基醚

Database IDs

• CAS Number: 929-37-3
• MDL Number: MFCD00192027
• PubChem SID: 24865683; 162244754
• PubChem CID: 13581

CALCULATED PROPERTIES

• Acid pKa: 15.121155
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.10785369
• LogD (pH = 7.4): -0.107853696
• Log P: -0.10785369
• Molar Refractivity: 34.0405 cm^3
• Polarizability: 13.57205 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 196 °C(lit.)
• Flash Point: 181.4 °F; 83 °C
• Density: 0.968 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.448(lit.)

Safety Information

• RTECS: KM5495500
• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 98%
• Linear Formula: H2C=CH(OCH2CH2)2OH

DETAILS

Sigma Aldrich - 409987

Packaging
10 mL in glass bottle
100 mL in poly bottle