2-(ethenyloxy)-2-methylpropane

• ChemBase ID: 112263
• Molecular Formular: C6H12O
• Molecular Mass: 100.15888
• Monoisotopic Mass: 100.088815
• SMILES: CC(C)(C)OC=C
• Canonical SMILES: C=COC(C)(C)C
• InChI: InChI=1S/C6H12O/c1-5-7-6(2,3)4/h5H,1H2,2-4H3
• InChIKey: PGYJSURPYAAOMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethenyloxy)-2-methylpropane
• IUPAC Traditional name: 2-(ethenyloxy)-2-methylpropane
• Synonyms: tert-BUTYL VINYL ETHER; tert-Butyl vinyl ether; 2-(ethenyloxy)-2-methylpropane; 乙烯基叔丁醚

Database IDs

• CAS Number: 926-02-3
• MDL Number: MFCD00048246
• PubChem SID: 24865686; 162096913
• PubChem CID: 70220

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6831834
• LogD (pH = 7.4): 1.6831834
• Log P: 1.6831834
• Molar Refractivity: 30.5103 cm^3
• Polarizability: 12.23915 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-73°C; 75-76 °C(lit.)
• Flash Point: 1.4 °F; -17 °C
• Density: 0.762 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.398(lit.)
• Hydrophobicity(logP): 1.714

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315
• GHS Precautionary statements: P210
• 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 2

Product Information

• Purity: 95%; 98%
• Linear Formula: (CH3)3COCH=CH2

DETAILS

MP Biomedicals - 05223207

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 410012

Packaging
10, 50 mL in glass bottle