2-(ethenyloxy)ethan-1-ol

• ChemBase ID: 151024
• Molecular Formular: C4H8O2
• Molecular Mass: 88.10512
• Monoisotopic Mass: 88.0524295
• SMILES: C=COCCO
• Canonical SMILES: OCCOC=C
• InChI: InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2
• InChIKey: VUIWJRYTWUGOOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethenyloxy)ethan-1-ol
• IUPAC Traditional name: ethanol, 2-(ethenyloxy)-
• Synonyms: 2-(Vinyloxy)ethanol; Ethylene glycol vinyl ether; 2-(ethenyloxy)ethan-1-ol; 2-乙烯氧基乙醇; 乙二醇乙烯醚

Database IDs

• CAS Number: 764-48-7
• EC Number: 212-124-4
• MDL Number: MFCD00192151
• PubChem SID: 162245183; 24865687
• PubChem CID: 12995

CALCULATED PROPERTIES

• Acid pKa: 15.103721
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.060878176
• LogD (pH = 7.4): -0.060878187
• Log P: -0.060878176
• Molar Refractivity: 22.997 cm^3
• Polarizability: 9.180501 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 143 °C(lit.)
• Flash Point: 120.2 °F; 49 °C
• Density: 0.982 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.436(lit.)
• Hydrophobicity(logP): -0.243

Safety Information

• RTECS: KM5495000
• UN Number: 3271
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16-36
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3271 3/PG 3

Product Information

• Purity: 95%; 97%
• Linear Formula: H2C=CHOCH2CH2OH

DETAILS

Sigma Aldrich - 410020

Packaging
10, 50 mL in glass bottle